2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide

C15H18N4O — CID 58872695

IUPAC2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nc(C(N)=O)cc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-15(2,3)19-14-17-11(9-12(18-14)13(16)20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,20)(H,17,18,19)
InChIKeyBXYIUOVINJYYDX-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.45
Rot. Bonds3

About 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide

2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide (PubChem CID 58872695) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide
PubChem CID58872695
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nc(C(N)=O)cc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-15(2,3)19-14-17-11(9-12(18-14)13(16)20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,20)(H,17,18,19)
InChIKeyBXYIUOVINJYYDX-UHFFFAOYSA-N
XLogP2.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide (CID 58872695) is 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide is CC(C)(C)Nc1nc(C(N)=O)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide?
The InChIKey is BXYIUOVINJYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2,3)19-14-17-11(9-12(18-14)13(16)20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,20)(H,17,18,19).
What are the key properties of 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide?
2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 58872695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).