6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine

C10H10ClN5 — CID 165013179

IUPAC6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Cc1cc(N)ncn1
InChIInChI=1S/C10H10ClN5/c1-6-4-13-10(11)16-8(6)2-7-3-9(12)15-5-14-7/h3-5H,2H2,1H3,(H2,12,14,15)
InChIKeyJZXYMZHMYNMACS-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.40
Rot. Bonds2

About 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine

6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 165013179) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID165013179
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Cc1cc(N)ncn1
InChIInChI=1S/C10H10ClN5/c1-6-4-13-10(11)16-8(6)2-7-3-9(12)15-5-14-7/h3-5H,2H2,1H3,(H2,12,14,15)
InChIKeyJZXYMZHMYNMACS-UHFFFAOYSA-N
XLogP1.40
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine (CID 165013179) is 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine is Cc1cnc(Cl)nc1Cc1cc(N)ncn1.
What is the InChIKey of 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is JZXYMZHMYNMACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-6-4-13-10(11)16-8(6)2-7-3-9(12)15-5-14-7/h3-5H,2H2,1H3,(H2,12,14,15).
What are the key properties of 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine?
6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 235.68 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-5-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 165013179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).