N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide

C32H41N5O4 — CID 10347763

IUPACN-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)C(c2nc(C)c(C(=O)N3CCOCC3)c(=O)n2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C32H41N5O4/c1-22(2)28(36(16-8-15-33)30(38)26-13-11-23(3)12-14-26)29-34-24(4)27(31(39)35-17-19-41-20-18-35)32(40)37(29)21-25-9-6-5-7-10-25/h5-7,9-14,22,28H,8,15-21,33H2,1-4H3
InChIKeySQPHRHMMINSLJI-UHFFFAOYSA-N
MW559.71 g/mol
LogP3.57
Rot. Bonds10

About N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide

N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide (PubChem CID 10347763) has the molecular formula C32H41N5O4 and a molecular weight of 559.71 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
PubChem CID10347763
Molecular FormulaC32H41N5O4
Molecular Weight559.71 g/mol
Exact Mass559.32
IUPAC NameN-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)C(c2nc(C)c(C(=O)N3CCOCC3)c(=O)n2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C32H41N5O4/c1-22(2)28(36(16-8-15-33)30(38)26-13-11-23(3)12-14-26)29-34-24(4)27(31(39)35-17-19-41-20-18-35)32(40)37(29)21-25-9-6-5-7-10-25/h5-7,9-14,22,28H,8,15-21,33H2,1-4H3
InChIKeySQPHRHMMINSLJI-UHFFFAOYSA-N
XLogP3.57
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[3-aminopropyl-(4-methylbenzoyl)amino]-2-methylpropyl]-1-benzyl-4-methyl-6-oxopyrimidine-5-carboxamide
CID 69426709
2-[1-[3-aminopropyl-(4-methylbenzoyl)amino]-2-methylpropyl]-1-benzyl-4-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide
CID 69018768
N-(3-aminopropyl)-N-[1-[1-benzyl-5-(3,4-dimethylphenyl)-4-methyl-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 21076869
N-(3-aminopropyl)-N-[1-(7-benzyl-8-oxopyrimido[5,4-c]pyridazin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 22172601
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 6851740
N-(3-aminopropyl)-N-[(1S)-1-(3-benzyl-8-chloro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 42639261
N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-ethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 11503978
N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-bromobenzamide;tetrahydrochloride
CID 54757526
N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-bromobenzamide
CID 11548661
N-(3-aminopropyl)-N-[1-[5-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-2-methylpropyl]-4-methylbenzamide
CID 10346637
N-(3-aminopropyl)-N-[1-(1-benzyl-5-ethynylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 73031789
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-8-chloro-7-methyl-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl)-2-methylpropyl]-4-chlorobenzamide;hydrochloride
CID 68893066

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide (CID 10347763) is N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CCCN)C(c2nc(C)c(C(=O)N3CCOCC3)c(=O)n2Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide?
The InChIKey is SQPHRHMMINSLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O4/c1-22(2)28(36(16-8-15-33)30(38)26-13-11-23(3)12-14-26)29-34-24(4)27(31(39)35-17-19-41-20-18-35)32(40)37(29)21-25-9-6-5-7-10-25/h5-7,9-14,22,28H,8,15-21,33H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide?
N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide has a molecular weight of 559.71 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-[1-benzyl-4-methyl-5-(morpholine-4-carbonyl)-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide is sourced from PubChem (CID 10347763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).