N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide

C18H24N4O — CID 109338352

IUPACN-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-5-10-19-16-11-15(20-12-21-16)17(23)22-14-9-7-6-8-13(14)18(2,3)4/h6-9,11-12H,5,10H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyYDZOOFSIEQQIHP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.85
Rot. Bonds5

About N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109338352) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109338352
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-5-10-19-16-11-15(20-12-21-16)17(23)22-14-9-7-6-8-13(14)18(2,3)4/h6-9,11-12H,5,10H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyYDZOOFSIEQQIHP-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348315
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
N-(2-tert-butylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349091
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354441
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338316
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
6-(butylamino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109339923
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357737

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide (CID 109338352) is N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)Nc2ccccc2C(C)(C)C)ncn1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is YDZOOFSIEQQIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-10-19-16-11-15(20-12-21-16)17(23)22-14-9-7-6-8-13(14)18(2,3)4/h6-9,11-12H,5,10H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).