N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

C18H21N5 — CID 135095517

IUPACN-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCc1cc(-c2ccccc2)nc(CN(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C18H21N5/c1-14-9-17(16-7-5-4-6-8-16)21-18(20-14)13-22(2)11-15-10-19-23(3)12-15/h4-10,12H,11,13H2,1-3H3
InChIKeyCCRYTKCQCMRJMB-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.82
Rot. Bonds5

About N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 135095517) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID135095517
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCc1cc(-c2ccccc2)nc(CN(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C18H21N5/c1-14-9-17(16-7-5-4-6-8-16)21-18(20-14)13-22(2)11-15-10-19-23(3)12-15/h4-10,12H,11,13H2,1-3H3
InChIKeyCCRYTKCQCMRJMB-UHFFFAOYSA-N
XLogP2.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (CID 135095517) is N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is Cc1cc(-c2ccccc2)nc(CN(C)Cc2cnn(C)c2)n1.
What is the InChIKey of N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is CCRYTKCQCMRJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-9-17(16-7-5-4-6-8-16)21-18(20-14)13-22(2)11-15-10-19-23(3)12-15/h4-10,12H,11,13H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 307.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 135095517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).