6-chloro-N-(2-methylbutyl)pyrimidin-4-amine

C9H14ClN3 — CID 62693783

IUPAC6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CNc1cc(Cl)ncn1
InChIInChI=1S/C9H14ClN3/c1-3-7(2)5-11-9-4-8(10)12-6-13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyAOBHXAFJLRDEKT-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.59
Rot. Bonds4

About 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine

6-chloro-N-(2-methylbutyl)pyrimidin-4-amine (PubChem CID 62693783) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
PubChem CID62693783
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CNc1cc(Cl)ncn1
InChIInChI=1S/C9H14ClN3/c1-3-7(2)5-11-9-4-8(10)12-6-13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyAOBHXAFJLRDEKT-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
CID 66169551
N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 65037496
N-(6-ethoxypyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303214
3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine
CID 131204276
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
CID 66333180
2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine
CID 137483617
6-chloro-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine
CID 146407597
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine (CID 62693783) is 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine is CCC(C)CNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine?
The InChIKey is AOBHXAFJLRDEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-7(2)5-11-9-4-8(10)12-6-13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine?
6-chloro-N-(2-methylbutyl)pyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 62693783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).