N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine

C10H16ClN3O — CID 112635580

IUPACN-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC(C)Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-4-15-9-5-8(3)13-10(14-9)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyWXDXAJOVDWUUNY-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.22
Rot. Bonds5

About N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine

N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine (PubChem CID 112635580) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
PubChem CID112635580
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC(C)Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-4-15-9-5-8(3)13-10(14-9)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyWXDXAJOVDWUUNY-UHFFFAOYSA-N
XLogP2.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 112635894
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635793
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 114982569
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 112638194
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 112637077
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine (CID 112635580) is N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine is CCOc1cc(C)nc(NCC(C)Cl)n1.
What is the InChIKey of N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine?
The InChIKey is WXDXAJOVDWUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-15-9-5-8(3)13-10(14-9)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine?
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine has a molecular weight of 229.71 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112635580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).