N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide

C21H28N6O4 — CID 30659791

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)CCn2nc(C)cc2C)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N6O4/c1-4-5-9-25-19(22)18(20(29)23-21(25)30)26(13-16-7-6-11-31-16)17(28)8-10-27-15(3)12-14(2)24-27/h6-7,11-12H,4-5,8-10,13,22H2,1-3H3,(H,23,29,30)
InChIKeyBFJPWBNUDXRSNN-UHFFFAOYSA-N
MW428.49 g/mol
LogP1.95
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 30659791) has the molecular formula C21H28N6O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID30659791
Molecular FormulaC21H28N6O4
Molecular Weight428.49 g/mol
Exact Mass428.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)CCn2nc(C)cc2C)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N6O4/c1-4-5-9-25-19(22)18(20(29)23-21(25)30)26(13-16-7-6-11-31-16)17(28)8-10-27-15(3)12-14(2)24-27/h6-7,11-12H,4-5,8-10,13,22H2,1-3H3,(H,23,29,30)
InChIKeyBFJPWBNUDXRSNN-UHFFFAOYSA-N
XLogP1.95
TPSA132.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 26195804
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33175445
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
CID 30842008
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenylsulfanylbutanamide
CID 26195819
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 38908007
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26195712
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 26195903
N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 39768831
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 17403772
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 26195962

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide (CID 30659791) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCn2nc(C)cc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BFJPWBNUDXRSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O4/c1-4-5-9-25-19(22)18(20(29)23-21(25)30)26(13-16-7-6-11-31-16)17(28)8-10-27-15(3)12-14(2)24-27/h6-7,11-12H,4-5,8-10,13,22H2,1-3H3,(H,23,29,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 428.49 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 30659791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).