2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

C15H18N4O — CID 82456429

IUPAC2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCc2ccncc2)nc(C2CC2)n1
InChIInChI=1S/C15H18N4O/c1-2-20-14-9-13(18-15(19-14)12-3-4-12)17-10-11-5-7-16-8-6-11/h5-9,12H,2-4,10H2,1H3,(H,17,18,19)
InChIKeyGWXYDRDOAPAQIA-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.76
Rot. Bonds6

About 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 82456429) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID82456429
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCc2ccncc2)nc(C2CC2)n1
InChIInChI=1S/C15H18N4O/c1-2-20-14-9-13(18-15(19-14)12-3-4-12)17-10-11-5-7-16-8-6-11/h5-9,12H,2-4,10H2,1H3,(H,17,18,19)
InChIKeyGWXYDRDOAPAQIA-UHFFFAOYSA-N
XLogP2.76
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456498
2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456386
2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80960959
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 82456516
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456714
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80962779
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966700
2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
CID 83883634

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 82456429) is 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is CCOc1cc(NCc2ccncc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is GWXYDRDOAPAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-20-14-9-13(18-15(19-14)12-3-4-12)17-10-11-5-7-16-8-6-11/h5-9,12H,2-4,10H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 270.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).