N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide

C16H28N4O — CID 112846701

IUPACN-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)N(C)CCCC)nc(C)n1
InChIInChI=1S/C16H28N4O/c1-5-7-9-10-17-15-12-14(18-13(3)19-15)16(21)20(4)11-8-6-2/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyIWFHLKVRCQLRAG-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.26
Rot. Bonds9

About N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide

N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 112846701) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
PubChem CID112846701
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)N(C)CCCC)nc(C)n1
InChIInChI=1S/C16H28N4O/c1-5-7-9-10-17-15-12-14(18-13(3)19-15)16(21)20(4)11-8-6-2/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyIWFHLKVRCQLRAG-UHFFFAOYSA-N
XLogP3.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-[2-(4-fluorophenyl)ethylamino]-N,2-dimethylpyrimidine-4-carboxamide
CID 109371892
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 109361040
N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847113
N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847072

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide (CID 112846701) is N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1cc(C(=O)N(C)CCCC)nc(C)n1.
What is the InChIKey of N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is IWFHLKVRCQLRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-7-9-10-17-15-12-14(18-13(3)19-15)16(21)20(4)11-8-6-2/h12H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide?
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).