N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine

C17H16N4O — CID 24804044

IUPACN-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine
SMILESc1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1
InChIInChI=1S/C17H16N4O/c1-2-9-18-16(4-1)22-13-15-7-5-14(6-8-15)12-21-17-19-10-3-11-20-17/h1-11H,12-13H2,(H,19,20,21)
InChIKeyYVJZYJJQSYWRDS-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.06
Rot. Bonds6

About N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine

N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 24804044) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID24804044
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine
SMILESc1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1
InChIInChI=1S/C17H16N4O/c1-2-9-18-16(4-1)22-13-15-7-5-14(6-8-15)12-21-17-19-10-3-11-20-17/h1-11H,12-13H2,(H,19,20,21)
InChIKeyYVJZYJJQSYWRDS-UHFFFAOYSA-N
XLogP3.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine (CID 24804044) is N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine is c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1.
What is the InChIKey of N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is YVJZYJJQSYWRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-9-18-16(4-1)22-13-15-7-5-14(6-8-15)12-21-17-19-10-3-11-20-17/h1-11H,12-13H2,(H,19,20,21).
What are the key properties of N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?
N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 292.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 24804044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).