N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide

C16H28N4O — CID 62169296

IUPACN-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)N(CC)C(C)C
InChIInChI=1S/C16H28N4O/c1-7-9-17-13-10-18-15(11(3)4)19-14(13)16(21)20(8-2)12(5)6/h10-12,17H,7-9H2,1-6H3
InChIKeyUTOOXIJXZRMJFB-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.29
Rot. Bonds7

About N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide

N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide (PubChem CID 62169296) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide
PubChem CID62169296
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)N(CC)C(C)C
InChIInChI=1S/C16H28N4O/c1-7-9-17-13-10-18-15(11(3)4)19-14(13)16(21)20(8-2)12(5)6/h10-12,17H,7-9H2,1-6H3
InChIKeyUTOOXIJXZRMJFB-UHFFFAOYSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
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-[[3-oxo-3-(propylamino)propyl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087587
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 62172859
5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086858
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62179329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide (CID 62169296) is N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide is CCCNc1cnc(C(C)C)nc1C(=O)N(CC)C(C)C.
What is the InChIKey of N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is UTOOXIJXZRMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-7-9-17-13-10-18-15(11(3)4)19-14(13)16(21)20(8-2)12(5)6/h10-12,17H,7-9H2,1-6H3.
What are the key properties of N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide?
N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 62169296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).