2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

C17H30N6O — CID 45488650

IUPAC2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(NCCCN)nc1NC1CCCC1
InChIInChI=1S/C17H30N6O/c1-12(2)10-20-16(24)14-11-21-17(19-9-5-8-18)23-15(14)22-13-6-3-4-7-13/h11-13H,3-10,18H2,1-2H3,(H,20,24)(H2,19,21,22,23)
InChIKeyVVLZJEPICCLZJO-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.98
Rot. Bonds9

About 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 45488650) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID45488650
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(NCCCN)nc1NC1CCCC1
InChIInChI=1S/C17H30N6O/c1-12(2)10-20-16(24)14-11-21-17(19-9-5-8-18)23-15(14)22-13-6-3-4-7-13/h11-13H,3-10,18H2,1-2H3,(H,20,24)(H2,19,21,22,23)
InChIKeyVVLZJEPICCLZJO-UHFFFAOYSA-N
XLogP1.98
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 70694174
4-amino-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038061
4-amino-2-[(3R)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038785
4-(cyclohexylmethylamino)-N-(2-methylpropyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide
CID 45488202
4-(cyclohexylmethylamino)-N-(2-methylpropyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidine-5-carboxamide
CID 45488300
4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 45488304
4-(cyclopentylamino)-N-(2-methylpropyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide
CID 45488379
4-(cyclopentylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488434
4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488495
4-(cyclopentylamino)-N-(2-methylpropyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidine-5-carboxamide
CID 45488506
4-(cyclohexylmethylamino)-2-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488715
4-(cyclopentylamino)-2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45489049

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 45488650) is 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(NCCCN)nc1NC1CCCC1.
What is the InChIKey of 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is VVLZJEPICCLZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-12(2)10-20-16(24)14-11-21-17(19-9-5-8-18)23-15(14)22-13-6-3-4-7-13/h11-13H,3-10,18H2,1-2H3,(H,20,24)(H2,19,21,22,23).
What are the key properties of 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.98, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 45488650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).