[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine

C11H9Cl2N3 — CID 81491774

IUPAC[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3/c12-9-2-1-7(5-10(9)13)11-15-4-3-8(6-14)16-11/h1-5H,6,14H2
InChIKeyBWXNQHYCCGYSFV-UHFFFAOYSA-N
MW254.12 g/mol
LogP2.91
Rot. Bonds2

About [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine

[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine (PubChem CID 81491774) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
PubChem CID81491774
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3/c12-9-2-1-7(5-10(9)13)11-15-4-3-8(6-14)16-11/h1-5H,6,14H2
InChIKeyBWXNQHYCCGYSFV-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
N~4~-Cyclopropyl-6-(2,3-Dichlorophenyl)pyrimidine-2,4-Diamine
CID 73389731
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
N-(4-Chlorobenzyl)pyrimidin-2-amine
CID 4882447
4-Chloro-6-phenylpyrimidine
CID 593429
4-N-[(4-chlorophenyl)methyl]-6-pyridin-2-yl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 118716413
N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine
CID 155530901
2-[4-[(3,4-Dichlorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 2838565

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine (CID 81491774) is [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine is NCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine?
The InChIKey is BWXNQHYCCGYSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c12-9-2-1-7(5-10(9)13)11-15-4-3-8(6-14)16-11/h1-5H,6,14H2.
What are the key properties of [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine?
[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine has a molecular weight of 254.12 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 81491774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).