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

C17H22N4O — CID 82456498

IUPAC2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCC(C)COc1cc(NCc2ccncc2)nc(C2CC2)n1
InChIInChI=1S/C17H22N4O/c1-12(2)11-22-16-9-15(20-17(21-16)14-3-4-14)19-10-13-5-7-18-8-6-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,19,20,21)
InChIKeyGMQWFPQIRPSOPB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.40
Rot. Bonds7

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

2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 82456498) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID82456498
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCC(C)COc1cc(NCc2ccncc2)nc(C2CC2)n1
InChIInChI=1S/C17H22N4O/c1-12(2)11-22-16-9-15(20-17(21-16)14-3-4-14)19-10-13-5-7-18-8-6-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,19,20,21)
InChIKeyGMQWFPQIRPSOPB-UHFFFAOYSA-N
XLogP3.40
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456429
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456714
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456492
2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458412
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456386
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80960959
6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 82456516
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 82456498) is 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is CC(C)COc1cc(NCc2ccncc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is GMQWFPQIRPSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)11-22-16-9-15(20-17(21-16)14-3-4-14)19-10-13-5-7-18-8-6-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).