N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide

C21H24N6O — CID 153321087

IUPACN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(-n2cccn2)n1
InChIInChI=1S/C21H24N6O/c1-26(13-10-16-6-3-2-4-7-16)21-24-18(20(28)22-15-17-8-9-17)14-19(25-21)27-12-5-11-23-27/h2-7,11-12,14,17H,8-10,13,15H2,1H3,(H,22,28)
InChIKeyMLFYWPAMXKECJA-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.48
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide (PubChem CID 153321087) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide
PubChem CID153321087
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(-n2cccn2)n1
InChIInChI=1S/C21H24N6O/c1-26(13-10-16-6-3-2-4-7-16)21-24-18(20(28)22-15-17-8-9-17)14-19(25-21)27-12-5-11-23-27/h2-7,11-12,14,17H,8-10,13,15H2,1H3,(H,22,28)
InChIKeyMLFYWPAMXKECJA-UHFFFAOYSA-N
XLogP2.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide (CID 153321087) is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(-n2cccn2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is MLFYWPAMXKECJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(13-10-16-6-3-2-4-7-16)21-24-18(20(28)22-15-17-8-9-17)14-19(25-21)27-12-5-11-23-27/h2-7,11-12,14,17H,8-10,13,15H2,1H3,(H,22,28).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).