2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C16H16Cl2N4O2 — CID 109301029

IUPAC2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H16Cl2N4O2/c17-12-4-3-10(8-13(12)18)21-16-19-6-5-14(22-16)15(23)20-9-11-2-1-7-24-11/h3-6,8,11H,1-2,7,9H2,(H,20,23)(H,19,21,22)
InChIKeyYKQQFSHUNWOOFK-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.44
Rot. Bonds5

About 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109301029) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109301029
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC Name2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H16Cl2N4O2/c17-12-4-3-10(8-13(12)18)21-16-19-6-5-14(22-16)15(23)20-9-11-2-1-7-24-11/h3-6,8,11H,1-2,7,9H2,(H,20,23)(H,19,21,22)
InChIKeyYKQQFSHUNWOOFK-UHFFFAOYSA-N
XLogP3.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300998
2-(2-chloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300970
N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834
2-(2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300951
2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300968
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109300934
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109301029) is 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is YKQQFSHUNWOOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c17-12-4-3-10(8-13(12)18)21-16-19-6-5-14(22-16)15(23)20-9-11-2-1-7-24-11/h3-6,8,11H,1-2,7,9H2,(H,20,23)(H,19,21,22).
What are the key properties of 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).