2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine

C17H21N3O2 — CID 133323998

IUPAC2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine
SMILESCOc1ccc(OC(C)CNc2ccnc(C3CC3)n2)cc1
InChIInChI=1S/C17H21N3O2/c1-12(22-15-7-5-14(21-2)6-8-15)11-19-16-9-10-18-17(20-16)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,18,19,20)
InChIKeyPEHYXVXQQVVZCZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.24
Rot. Bonds7

About 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine

2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine (PubChem CID 133323998) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine
PubChem CID133323998
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine
SMILESCOc1ccc(OC(C)CNc2ccnc(C3CC3)n2)cc1
InChIInChI=1S/C17H21N3O2/c1-12(22-15-7-5-14(21-2)6-8-15)11-19-16-9-10-18-17(20-16)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,18,19,20)
InChIKeyPEHYXVXQQVVZCZ-UHFFFAOYSA-N
XLogP3.24
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine
CID 133304220
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 133297559
5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
CID 133323967
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171
6-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidin-4-amine
CID 97151701
2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
CID 133400059
2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol
CID 133477162
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83830305
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80957134

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine (CID 133323998) is 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine is COc1ccc(OC(C)CNc2ccnc(C3CC3)n2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine?
The InChIKey is PEHYXVXQQVVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(22-15-7-5-14(21-2)6-8-15)11-19-16-9-10-18-17(20-16)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine?
2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine has a molecular weight of 299.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine is sourced from PubChem (CID 133323998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).