(5-chloro-2-methylpyrimidin-4-yl)methanamine

C6H8ClN3 — CID 82502728

IUPAC(5-chloro-2-methylpyrimidin-4-yl)methanamine
SMILESCc1ncc(Cl)c(CN)n1
InChIInChI=1S/C6H8ClN3/c1-4-9-3-5(7)6(2-8)10-4/h3H,2,8H2,1H3
InChIKeyOUXWHFOMJAFGOK-UHFFFAOYSA-N
MW157.60 g/mol
LogP0.90
Rot. Bonds1

About (5-chloro-2-methylpyrimidin-4-yl)methanamine

(5-chloro-2-methylpyrimidin-4-yl)methanamine (PubChem CID 82502728) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is (5-chloro-2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylpyrimidin-4-yl)methanamine
PubChem CID82502728
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name(5-chloro-2-methylpyrimidin-4-yl)methanamine
SMILESCc1ncc(Cl)c(CN)n1
InChIInChI=1S/C6H8ClN3/c1-4-9-3-5(7)6(2-8)10-4/h3H,2,8H2,1H3
InChIKeyOUXWHFOMJAFGOK-UHFFFAOYSA-N
XLogP0.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dichloro-4-methylpyrimidine
CID 21278621
4-Methyl-2-pyrimidinemethanamine
CID 18727763
(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
5-Chloro-4-methylpyrimidine-2-carbonitrile
CID 13860976
2,4-Dimethylpyrimidin-5-amine
CID 13981970
(2-Ethylpyrimidin-4-yl)methanamine
CID 45080066
(4-Methylpyrimidin-2-yl)methanamine dihydrochloride
CID 72207228
1-(5-Bromo-4-methylpyrimidin-2-yl)methanamine dihydrochloride
CID 177799329
5-Chloro-2,4-diethylpyrimidine
CID 134912842
5-Chloro-4-methylpyrimidine
CID 12600385
[Amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride
CID 121231371
2-Tert-butyl-5-chloro-4-(trifluoromethyl)pyrimidine
CID 19937170

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)methanamine (CID 82502728) is (5-chloro-2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (5-chloro-2-methylpyrimidin-4-yl)methanamine is Cc1ncc(Cl)c(CN)n1.
What is the InChIKey of (5-chloro-2-methylpyrimidin-4-yl)methanamine?
The InChIKey is OUXWHFOMJAFGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-4-9-3-5(7)6(2-8)10-4/h3H,2,8H2,1H3.
What are the key properties of (5-chloro-2-methylpyrimidin-4-yl)methanamine?
(5-chloro-2-methylpyrimidin-4-yl)methanamine has a molecular weight of 157.60 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 82502728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).