2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide

C17H18FN7O — CID 163291158

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(F)c1Nc1nc(Nc2c(C)n[nH]c2C)ncc1C(N)=O
InChIInChI=1S/C17H18FN7O/c1-8-5-4-6-12(18)13(8)21-16-11(15(19)26)7-20-17(23-16)22-14-9(2)24-25-10(14)3/h4-7H,1-3H3,(H2,19,26)(H,24,25)(H2,20,21,22,23)
InChIKeyRZDZPNMFEJVRFZ-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.85
Rot. Bonds5

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide (PubChem CID 163291158) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide
PubChem CID163291158
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(F)c1Nc1nc(Nc2c(C)n[nH]c2C)ncc1C(N)=O
InChIInChI=1S/C17H18FN7O/c1-8-5-4-6-12(18)13(8)21-16-11(15(19)26)7-20-17(23-16)22-14-9(2)24-25-10(14)3/h4-7H,1-3H3,(H2,19,26)(H,24,25)(H2,20,21,22,23)
InChIKeyRZDZPNMFEJVRFZ-UHFFFAOYSA-N
XLogP2.85
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide (CID 163291158) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide is Cc1cccc(F)c1Nc1nc(Nc2c(C)n[nH]c2C)ncc1C(N)=O.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is RZDZPNMFEJVRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-8-5-4-6-12(18)13(8)21-16-11(15(19)26)7-20-17(23-16)22-14-9(2)24-25-10(14)3/h4-7H,1-3H3,(H2,19,26)(H,24,25)(H2,20,21,22,23).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-(2-fluoro-6-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 163291158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).