5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine

C16H17N5 — CID 72884289

IUPAC5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ncnc(NCc2ccc(-n3cccn3)cc2)c1C
InChIInChI=1S/C16H17N5/c1-12-13(2)18-11-19-16(12)17-10-14-4-6-15(7-5-14)21-9-3-8-20-21/h3-9,11H,10H2,1-2H3,(H,17,18,19)
InChIKeyDRFQTDPAIHGSBR-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.89
Rot. Bonds4

About 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine

5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine (PubChem CID 72884289) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
PubChem CID72884289
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ncnc(NCc2ccc(-n3cccn3)cc2)c1C
InChIInChI=1S/C16H17N5/c1-12-13(2)18-11-19-16(12)17-10-14-4-6-15(7-5-14)21-9-3-8-20-21/h3-9,11H,10H2,1-2H3,(H,17,18,19)
InChIKeyDRFQTDPAIHGSBR-UHFFFAOYSA-N
XLogP2.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine (CID 72884289) is 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine is Cc1ncnc(NCc2ccc(-n3cccn3)cc2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is DRFQTDPAIHGSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-13(2)18-11-19-16(12)17-10-14-4-6-15(7-5-14)21-9-3-8-20-21/h3-9,11H,10H2,1-2H3,(H,17,18,19).
What are the key properties of 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72884289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).