2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide

C16H15Cl2FN4O2 — CID 121410379

IUPAC2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide
SMILESCN(c1nc(Cl)ncc1C(=O)Nc1c(F)cccc1Cl)C1CCCO1
InChIInChI=1S/C16H15Cl2FN4O2/c1-23(12-6-3-7-25-12)14-9(8-20-16(18)22-14)15(24)21-13-10(17)4-2-5-11(13)19/h2,4-5,8,12H,3,6-7H2,1H3,(H,21,24)
InChIKeyKJTTZGPNOPZZRN-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide

2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 121410379) has the molecular formula C16H15Cl2FN4O2 and a molecular weight of 385.23 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID121410379
Molecular FormulaC16H15Cl2FN4O2
Molecular Weight385.23 g/mol
Exact Mass384.06
IUPAC Name2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide
SMILESCN(c1nc(Cl)ncc1C(=O)Nc1c(F)cccc1Cl)C1CCCO1
InChIInChI=1S/C16H15Cl2FN4O2/c1-23(12-6-3-7-25-12)14-9(8-20-16(18)22-14)15(24)21-13-10(17)4-2-5-11(13)19/h2,4-5,8,12H,3,6-7H2,1H3,(H,21,24)
InChIKeyKJTTZGPNOPZZRN-UHFFFAOYSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-6-fluorophenyl)-2-(cyclopropylamino)-5-fluoropyridine-3-carboxamide
CID 162350144
N-(2-chloro-6-fluorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138521565
5-[[5-[(2-chloro-6-fluorophenyl)carbamoyl]-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-yl]amino]-2-hydroxybenzoic acid
CID 159816073
5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924765
2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide
CID 171834988
5-chloro-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107372206
2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113010626
2-chloro-N-(2-chloro-6-fluorophenyl)-4-[[(4Z)-2-ethylsulfanylhexa-1,4-dien-3-ylidene]amino]pyrimidine-5-carboxamide
CID 123369689
5-amino-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107377043
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
N-(2-chloro-6-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387655
N-(2-chloro-6-fluorophenyl)-3,5-dihydroxybenzamide
CID 107704313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide (CID 121410379) is 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide is CN(c1nc(Cl)ncc1C(=O)Nc1c(F)cccc1Cl)C1CCCO1.
What is the InChIKey of 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is KJTTZGPNOPZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN4O2/c1-23(12-6-3-7-25-12)14-9(8-20-16(18)22-14)15(24)21-13-10(17)4-2-5-11(13)19/h2,4-5,8,12H,3,6-7H2,1H3,(H,21,24).
What are the key properties of 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide?
2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 385.23 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-6-fluorophenyl)-4-[methyl(oxolan-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 121410379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).