2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide

C15H23N7O — CID 95744392

IUPAC2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CCN(C)C)c2)nc(N(C)C)n1
InChIInChI=1S/C15H23N7O/c1-11-8-13(19-15(17-11)21(4)5)14(23)18-12-9-16-22(10-12)7-6-20(2)3/h8-10H,6-7H2,1-5H3,(H,18,23)
InChIKeyVVXQTBSOWCIBAQ-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.86
Rot. Bonds6

About 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide

2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide (PubChem CID 95744392) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
PubChem CID95744392
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CCN(C)C)c2)nc(N(C)C)n1
InChIInChI=1S/C15H23N7O/c1-11-8-13(19-15(17-11)21(4)5)14(23)18-12-9-16-22(10-12)7-6-20(2)3/h8-10H,6-7H2,1-5H3,(H,18,23)
InChIKeyVVXQTBSOWCIBAQ-UHFFFAOYSA-N
XLogP0.86
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide (CID 95744392) is 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cnn(CCN(C)C)c2)nc(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is VVXQTBSOWCIBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11-8-13(19-15(17-11)21(4)5)14(23)18-12-9-16-22(10-12)7-6-20(2)3/h8-10H,6-7H2,1-5H3,(H,18,23).
What are the key properties of 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide?
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 95744392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).