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

C13H15N3O — CID 58757234

IUPACN-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCOCc1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C13H15N3O/c1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13/h2-8H,9-10H2,1H3,(H,14,15,16)
InChIKeyVSWKLQAOENCZFP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.24
Rot. Bonds5

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

N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 58757234) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID58757234
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCOCc1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C13H15N3O/c1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13/h2-8H,9-10H2,1H3,(H,14,15,16)
InChIKeyVSWKLQAOENCZFP-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine (CID 58757234) is N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine is COCc1ccc(CNc2ncccn2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is VSWKLQAOENCZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13/h2-8H,9-10H2,1H3,(H,14,15,16).
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine?
N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 58757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).