5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine

C16H17N5O — CID 70776106

IUPAC5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cnc(N(C)Cc2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C16H17N5O/c1-20(16-17-10-15(22-2)11-18-16)12-13-4-6-14(7-5-13)21-9-3-8-19-21/h3-11H,12H2,1-2H3
InChIKeyGBTCPCRROFALIE-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.31
Rot. Bonds5

About 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine

5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine (PubChem CID 70776106) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine
PubChem CID70776106
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cnc(N(C)Cc2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C16H17N5O/c1-20(16-17-10-15(22-2)11-18-16)12-13-4-6-14(7-5-13)21-9-3-8-19-21/h3-11H,12H2,1-2H3
InChIKeyGBTCPCRROFALIE-UHFFFAOYSA-N
XLogP2.31
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine (CID 70776106) is 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine is COc1cnc(N(C)Cc2ccc(-n3cccn3)cc2)nc1.
What is the InChIKey of 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is GBTCPCRROFALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-20(16-17-10-15(22-2)11-18-16)12-13-4-6-14(7-5-13)21-9-3-8-19-21/h3-11H,12H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine?
5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 70776106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).