N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

C20H27N5O — CID 171995172

IUPACN-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cccc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C20H27N5O/c1-16-3-2-4-17(13-16)14-24-8-6-18(15-24)22-20-21-7-5-19(23-20)25-9-11-26-12-10-25/h2-5,7,13,18H,6,8-12,14-15H2,1H3,(H,21,22,23)
InChIKeyCXWSTDZMUJZBJT-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.31
Rot. Bonds5

About N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 171995172) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID171995172
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cccc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C20H27N5O/c1-16-3-2-4-17(13-16)14-24-8-6-18(15-24)22-20-21-7-5-19(23-20)25-9-11-26-12-10-25/h2-5,7,13,18H,6,8-12,14-15H2,1H3,(H,21,22,23)
InChIKeyCXWSTDZMUJZBJT-UHFFFAOYSA-N
XLogP2.31
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996210
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171994648
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086371
3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086074
4-morpholin-4-yl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994884
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-benzyl-3-methylpiperidin-4-yl)azepan-3-amine
CID 66904103
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]azetidin-1-yl]methyl]benzonitrile
CID 66904531
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (CID 171995172) is N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is Cc1cccc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is CXWSTDZMUJZBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16-3-2-4-17(13-16)14-24-8-6-18(15-24)22-20-21-7-5-19(23-20)25-9-11-26-12-10-25/h2-5,7,13,18H,6,8-12,14-15H2,1H3,(H,21,22,23).
What are the key properties of N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 353.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 171995172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).