2-[(3-chloroanilino)methyl]pyrimidin-5-amine

C11H11ClN4 — CID 105495577

IUPAC2-[(3-chloroanilino)methyl]pyrimidin-5-amine
SMILESNc1cnc(CNc2cccc(Cl)c2)nc1
InChIInChI=1S/C11H11ClN4/c12-8-2-1-3-10(4-8)14-7-11-15-5-9(13)6-16-11/h1-6,14H,7,13H2
InChIKeyPTJXLZPIWRLYAB-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.32
Rot. Bonds3

About 2-[(3-chloroanilino)methyl]pyrimidin-5-amine

2-[(3-chloroanilino)methyl]pyrimidin-5-amine (PubChem CID 105495577) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-[(3-chloroanilino)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(3-chloroanilino)methyl]pyrimidin-5-amine
PubChem CID105495577
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name2-[(3-chloroanilino)methyl]pyrimidin-5-amine
SMILESNc1cnc(CNc2cccc(Cl)c2)nc1
InChIInChI=1S/C11H11ClN4/c12-8-2-1-3-10(4-8)14-7-11-15-5-9(13)6-16-11/h1-6,14H,7,13H2
InChIKeyPTJXLZPIWRLYAB-UHFFFAOYSA-N
XLogP2.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
3-chloro-N-(thiadiazol-5-ylmethyl)aniline
CID 130599769
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
3-chloro-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28542666
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
3-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62695858
5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine
CID 155130266
3-chloro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43762080
3-chloro-N-[(4-iodophenyl)methyl]aniline
CID 65477156
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-3-chloroaniline
CID 174725828

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroanilino)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[(3-chloroanilino)methyl]pyrimidin-5-amine (CID 105495577) is 2-[(3-chloroanilino)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(3-chloroanilino)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(3-chloroanilino)methyl]pyrimidin-5-amine is Nc1cnc(CNc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-[(3-chloroanilino)methyl]pyrimidin-5-amine?
The InChIKey is PTJXLZPIWRLYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-8-2-1-3-10(4-8)14-7-11-15-5-9(13)6-16-11/h1-6,14H,7,13H2.
What are the key properties of 2-[(3-chloroanilino)methyl]pyrimidin-5-amine?
2-[(3-chloroanilino)methyl]pyrimidin-5-amine has a molecular weight of 234.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroanilino)methyl]pyrimidin-5-amine is sourced from PubChem (CID 105495577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).