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

C15H26N4O — CID 62173236

IUPACN-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)NC(C)CC
InChIInChI=1S/C15H26N4O/c1-6-8-16-12-9-17-14(10(3)4)19-13(12)15(20)18-11(5)7-2/h9-11,16H,6-8H2,1-5H3,(H,18,20)
InChIKeyRUSFYRZOIMCQKN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.95
Rot. Bonds7

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

N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide (PubChem CID 62173236) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
PubChem CID62173236
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)NC(C)CC
InChIInChI=1S/C15H26N4O/c1-6-8-16-12-9-17-14(10(3)4)19-13(12)15(20)18-11(5)7-2/h9-11,16H,6-8H2,1-5H3,(H,18,20)
InChIKeyRUSFYRZOIMCQKN-UHFFFAOYSA-N
XLogP2.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62165287
N-(2-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63500828
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62233583
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62180898
2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 62172859
N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide
CID 62169296
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
5-[[3-oxo-3-(propylamino)propyl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087587
5-(ethylamino)-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63961032

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide (CID 62173236) is N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide is CCCNc1cnc(C(C)C)nc1C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is RUSFYRZOIMCQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-8-16-12-9-17-14(10(3)4)19-13(12)15(20)18-11(5)7-2/h9-11,16H,6-8H2,1-5H3,(H,18,20).
What are the key properties of N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide?
N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 62173236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).