1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine

C17H21N3O — CID 165343676

IUPAC1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(COCc2ccccc2)nc1C1CC1
InChIInChI=1S/C17H21N3O/c1-18-9-15-10-19-16(20-17(15)14-7-8-14)12-21-11-13-5-3-2-4-6-13/h2-6,10,14,18H,7-9,11-12H2,1H3
InChIKeyQZKRPCYEUUKXHS-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.79
Rot. Bonds7

About 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 165343676) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID165343676
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(COCc2ccccc2)nc1C1CC1
InChIInChI=1S/C17H21N3O/c1-18-9-15-10-19-16(20-17(15)14-7-8-14)12-21-11-13-5-3-2-4-6-13/h2-6,10,14,18H,7-9,11-12H2,1H3
InChIKeyQZKRPCYEUUKXHS-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine (CID 165343676) is 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(COCc2ccccc2)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is QZKRPCYEUUKXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-9-15-10-19-16(20-17(15)14-7-8-14)12-21-11-13-5-3-2-4-6-13/h2-6,10,14,18H,7-9,11-12H2,1H3.
What are the key properties of 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 283.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 165343676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).