N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C18H24N4O — CID 109247172

IUPACN-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C18H24N4O/c1-12(2)21-17-19-10-13(11-20-17)16(23)22-15-9-7-6-8-14(15)18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyZNOSGMHFYGILIC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.85
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 109247172) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID109247172
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C18H24N4O/c1-12(2)21-17-19-10-13(11-20-17)16(23)22-15-9-7-6-8-14(15)18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyZNOSGMHFYGILIC-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
methyl 2-[[2-(propan-2-ylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247207
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257067
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268208
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-(2-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109268225
2-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109268216
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259160
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-tert-butylphenyl)-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268205

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 109247172) is N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)Nc2ccccc2C(C)(C)C)cn1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is ZNOSGMHFYGILIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)21-17-19-10-13(11-20-17)16(23)22-15-9-7-6-8-14(15)18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).