N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide

C16H28N4O — CID 63499131

IUPACN-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)NCCC(C)C
InChIInChI=1S/C16H28N4O/c1-6-8-17-13-10-19-15(12(4)5)20-14(13)16(21)18-9-7-11(2)3/h10-12,17H,6-9H2,1-5H3,(H,18,21)
InChIKeySNAYAPXRHLGGGX-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.20
Rot. Bonds8

About N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide

N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide (PubChem CID 63499131) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
PubChem CID63499131
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)NCCC(C)C
InChIInChI=1S/C16H28N4O/c1-6-8-17-13-10-19-15(12(4)5)20-14(13)16(21)18-9-7-11(2)3/h10-12,17H,6-9H2,1-5H3,(H,18,21)
InChIKeySNAYAPXRHLGGGX-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63500828
N-(3-methylbutan-2-yl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62165287
N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62173236
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide
CID 62169296
2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 62172859
5-(ethylamino)-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63961032
5-hydrazinyl-N-(5-methylhexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 115327342
5-[[3-oxo-3-(propylamino)propyl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087587
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide (CID 63499131) is N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide is CCCNc1cnc(C(C)C)nc1C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is SNAYAPXRHLGGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-8-17-13-10-19-15(12(4)5)20-14(13)16(21)18-9-7-11(2)3/h10-12,17H,6-9H2,1-5H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide?
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 63499131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).