6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine

C17H19N5O — CID 97137138

IUPAC6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine
SMILESCOCc1cc(N[C@@H](Cn2cccn2)c2ccccc2)ncn1
InChIInChI=1S/C17H19N5O/c1-23-12-15-10-17(19-13-18-15)21-16(11-22-9-5-8-20-22)14-6-3-2-4-7-14/h2-10,13,16H,11-12H2,1H3,(H,18,19,21)/t16-/m0/s1
InChIKeyQRPDMVCIDYZJNY-INIZCTEOSA-N
MW309.37 g/mol
LogP2.67
Rot. Bonds7

About 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine

6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine (PubChem CID 97137138) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine
PubChem CID97137138
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine
SMILESCOCc1cc(N[C@@H](Cn2cccn2)c2ccccc2)ncn1
InChIInChI=1S/C17H19N5O/c1-23-12-15-10-17(19-13-18-15)21-16(11-22-9-5-8-20-22)14-6-3-2-4-7-14/h2-10,13,16H,11-12H2,1H3,(H,18,19,21)/t16-/m0/s1
InChIKeyQRPDMVCIDYZJNY-INIZCTEOSA-N
XLogP2.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine (CID 97137138) is 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine is COCc1cc(N[C@@H](Cn2cccn2)c2ccccc2)ncn1.
What is the InChIKey of 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine?
The InChIKey is QRPDMVCIDYZJNY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-12-15-10-17(19-13-18-15)21-16(11-22-9-5-8-20-22)14-6-3-2-4-7-14/h2-10,13,16H,11-12H2,1H3,(H,18,19,21)/t16-/m0/s1.
What are the key properties of 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine is sourced from PubChem (CID 97137138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).