2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C14H16N4O — CID 82456386

IUPAC2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1cc(NCc2cccnc2)nc(C2CC2)n1
InChIInChI=1S/C14H16N4O/c1-19-13-7-12(17-14(18-13)11-4-5-11)16-9-10-3-2-6-15-8-10/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,17,18)
InChIKeyBQEOSQSZYOUENU-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.37
Rot. Bonds5

About 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 82456386) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID82456386
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1cc(NCc2cccnc2)nc(C2CC2)n1
InChIInChI=1S/C14H16N4O/c1-19-13-7-12(17-14(18-13)11-4-5-11)16-9-10-3-2-6-15-8-10/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,17,18)
InChIKeyBQEOSQSZYOUENU-UHFFFAOYSA-N
XLogP2.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456429
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456498
2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82456280
2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362
6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 91782142
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
2-cyclopropyl-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 80964280
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919581

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 82456386) is 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is COc1cc(NCc2cccnc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is BQEOSQSZYOUENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-19-13-7-12(17-14(18-13)11-4-5-11)16-9-10-3-2-6-15-8-10/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 256.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).