6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine

C8H5Cl2N5 — CID 56605349

IUPAC6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
SMILESClc1cc(Nc2cc(Cl)ncn2)ncn1
InChIInChI=1S/C8H5Cl2N5/c9-5-1-7(13-3-11-5)15-8-2-6(10)12-4-14-8/h1-4H,(H,11,12,13,14,15)
InChIKeyPKUJDWITCJBTHB-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.32
Rot. Bonds2

About 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine

6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine (PubChem CID 56605349) has the molecular formula C8H5Cl2N5 and a molecular weight of 242.07 g/mol. Its IUPAC name is 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
PubChem CID56605349
Molecular FormulaC8H5Cl2N5
Molecular Weight242.07 g/mol
Exact Mass240.99
IUPAC Name6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
SMILESClc1cc(Nc2cc(Cl)ncn2)ncn1
InChIInChI=1S/C8H5Cl2N5/c9-5-1-7(13-3-11-5)15-8-2-6(10)12-4-14-8/h1-4H,(H,11,12,13,14,15)
InChIKeyPKUJDWITCJBTHB-UHFFFAOYSA-N
XLogP2.32
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine
CID 159631663
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 66255009
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine
CID 61279571
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
CID 61277140
N-(1,3-benzodioxol-5-yl)-6-chloropyrimidin-4-amine
CID 60727029

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine (CID 56605349) is 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine is Clc1cc(Nc2cc(Cl)ncn2)ncn1.
What is the InChIKey of 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine?
The InChIKey is PKUJDWITCJBTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N5/c9-5-1-7(13-3-11-5)15-8-2-6(10)12-4-14-8/h1-4H,(H,11,12,13,14,15).
What are the key properties of 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine?
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine has a molecular weight of 242.07 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 56605349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).