N-(4-chloro-2-pyridinyl)pyrimidin-2-amine

C9H7ClN4 — CID 118249159

IUPACN-(4-chloro-2-pyridinyl)pyrimidin-2-amine
SMILESClc1ccnc(Nc2ncccn2)c1
InChIInChI=1S/C9H7ClN4/c10-7-2-5-11-8(6-7)14-9-12-3-1-4-13-9/h1-6H,(H,11,12,13,14)
InChIKeyWJDFAEYZFYQCQV-UHFFFAOYSA-N
MW206.64 g/mol
LogP2.27
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)pyrimidin-2-amine

N-(4-chloro-2-pyridinyl)pyrimidin-2-amine (PubChem CID 118249159) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)pyrimidin-2-amine
PubChem CID118249159
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC NameN-(4-chloro-2-pyridinyl)pyrimidin-2-amine
SMILESClc1ccnc(Nc2ncccn2)c1
InChIInChI=1S/C9H7ClN4/c10-7-2-5-11-8(6-7)14-9-12-3-1-4-13-9/h1-6H,(H,11,12,13,14)
InChIKeyWJDFAEYZFYQCQV-UHFFFAOYSA-N
XLogP2.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2'-Dipyridylamine
CID 14547
2-Amino-5-chloropyridine
CID 66174
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
N,N'-Di-2-pyridinylthiourea
CID 702572
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
2-Amino-4-chloropyridine
CID 581866
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
US9205085, Msx-221
CID 49857488
6-chloro-N~4~-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 1861859
2-(Pyridin-2-yl)pyrimidin-4-amine
CID 12403616
2-(Pyridin-3-yl)pyrimidine
CID 13349629

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(4-chloro-2-pyridinyl)pyrimidin-2-amine (CID 118249159) is N-(4-chloro-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chloro-2-pyridinyl)pyrimidin-2-amine is Clc1ccnc(Nc2ncccn2)c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is WJDFAEYZFYQCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c10-7-2-5-11-8(6-7)14-9-12-3-1-4-13-9/h1-6H,(H,11,12,13,14).
What are the key properties of N-(4-chloro-2-pyridinyl)pyrimidin-2-amine?
N-(4-chloro-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 206.64 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 118249159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).