6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

C15H17FN4O — CID 109353761

IUPAC6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C15H17FN4O/c1-15(2,3)20-13-8-12(17-9-18-13)14(21)19-11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyXVRJDIWMDWFKHP-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.08
Rot. Bonds3

About 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109353761) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109353761
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C15H17FN4O/c1-15(2,3)20-13-8-12(17-9-18-13)14(21)19-11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyXVRJDIWMDWFKHP-UHFFFAOYSA-N
XLogP3.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109353739
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
ethyl 4-[[6-(tert-butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109353818
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357737
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (CID 109353761) is 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is CC(C)(C)Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is XVRJDIWMDWFKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-15(2,3)20-13-8-12(17-9-18-13)14(21)19-11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).