[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine

C13H15N3O — CID 131115318

IUPAC[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(COCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c14-8-12-6-7-15-13(16-12)10-17-9-11-4-2-1-3-5-11/h1-7H,8-10,14H2
InChIKeyIQXJRFNKBSDNIA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.65
Rot. Bonds5

About [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine

[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine (PubChem CID 131115318) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine
PubChem CID131115318
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(COCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c14-8-12-6-7-15-13(16-12)10-17-9-11-4-2-1-3-5-11/h1-7H,8-10,14H2
InChIKeyIQXJRFNKBSDNIA-UHFFFAOYSA-N
XLogP1.65
TPSA61.03 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
4-chloro-2-(phenylmethoxymethyl)pyrimidine
CID 105495442
2,4-dibenzylpyrimidine
CID 59375877
CID 66734377
CID 66734377
4-chloro-2-(2-phenylmethoxyethyl)pyrimidine
CID 130968906
[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
CID 62830563
[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine
CID 106815490
4-(chloromethyl)-2-(phenoxymethyl)pyrimidine
CID 62746871
ethane;phenylmethoxymethylbenzene
CID 90943549
3-methyl-2-(phenylmethoxymethyl)pyridin-4-amine
CID 130949786
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
dichloromethane;phenylmethoxymethylbenzene
CID 174530379

Frequently Asked Questions

What is the IUPAC name of [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine (CID 131115318) is [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine is NCc1ccnc(COCc2ccccc2)n1.
What is the InChIKey of [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine?
The InChIKey is IQXJRFNKBSDNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-12-6-7-15-13(16-12)10-17-9-11-4-2-1-3-5-11/h1-7H,8-10,14H2.
What are the key properties of [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine?
[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 131115318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).