N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide

C14H12Cl2N4O — CID 109247436

IUPACN-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C14H12Cl2N4O/c15-11-4-3-10(5-12(11)16)20-14-17-6-8(7-18-14)13(21)19-9-1-2-9/h3-7,9H,1-2H2,(H,19,21)(H,17,18,20)
InChIKeyAWZPLSPDYDRSCL-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.42
Rot. Bonds4

About N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide

N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide (PubChem CID 109247436) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
PubChem CID109247436
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC NameN-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C14H12Cl2N4O/c15-11-4-3-10(5-12(11)16)20-14-17-6-8(7-18-14)13(21)19-9-1-2-9/h3-7,9H,1-2H2,(H,19,21)(H,17,18,20)
InChIKeyAWZPLSPDYDRSCL-UHFFFAOYSA-N
XLogP3.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380055
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247377
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109247409
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide (CID 109247436) is N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide is O=C(NC1CC1)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide?
The InChIKey is AWZPLSPDYDRSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-11-4-3-10(5-12(11)16)20-14-17-6-8(7-18-14)13(21)19-9-1-2-9/h3-7,9H,1-2H2,(H,19,21)(H,17,18,20).
What are the key properties of N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide?
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).