6-chloro-2-methyl-N-propylpyrimidin-4-amine

C8H12ClN3 — CID 11074100

IUPAC6-chloro-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Cl)nc(C)n1
InChIInChI=1S/C8H12ClN3/c1-3-4-10-8-5-7(9)11-6(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyMIWPXVCZYYXQAE-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.26
Rot. Bonds3

About 6-chloro-2-methyl-N-propylpyrimidin-4-amine

6-chloro-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 11074100) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-propylpyrimidin-4-amine
PubChem CID11074100
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name6-chloro-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Cl)nc(C)n1
InChIInChI=1S/C8H12ClN3/c1-3-4-10-8-5-7(9)11-6(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyMIWPXVCZYYXQAE-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721020
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635870
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034
6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 90175589
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-propylpyrimidin-4-amine (CID 11074100) is 6-chloro-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(Cl)nc(C)n1.
What is the InChIKey of 6-chloro-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is MIWPXVCZYYXQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-3-4-10-8-5-7(9)11-6(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 6-chloro-2-methyl-N-propylpyrimidin-4-amine?
6-chloro-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 185.66 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 11074100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).