N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine

C12H18ClN3O — CID 66333544

IUPACN-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NCC(Cl)C2CC2)nc(C)n1
InChIInChI=1S/C12H18ClN3O/c1-3-17-12-6-11(15-8(2)16-12)14-7-10(13)9-4-5-9/h6,9-10H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyHNOMJTKEWLIOIT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.61
Rot. Bonds6

About N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine

N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine (PubChem CID 66333544) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine
PubChem CID66333544
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NCC(Cl)C2CC2)nc(C)n1
InChIInChI=1S/C12H18ClN3O/c1-3-17-12-6-11(15-8(2)16-12)14-7-10(13)9-4-5-9/h6,9-10H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyHNOMJTKEWLIOIT-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.61
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

1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66326521
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 66327344
N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 115306618
6-ethoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419086
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
[2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66326317
6-ethoxy-2-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66326709
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine
CID 65033812

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine (CID 66333544) is N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine is CCOc1cc(NCC(Cl)C2CC2)nc(C)n1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The InChIKey is HNOMJTKEWLIOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-17-12-6-11(15-8(2)16-12)14-7-10(13)9-4-5-9/h6,9-10H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66333544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).