6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide

C22H26N6O — CID 59446821

IUPAC6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ncn1
InChIInChI=1S/C22H26N6O/c1-2-10-27(14-17-7-8-17)21-13-20(23-16-24-21)22(29)26-19-6-3-5-18(12-19)15-28-11-4-9-25-28/h3-6,9,11-13,16-17H,2,7-8,10,14-15H2,1H3,(H,26,29)
InChIKeyBCTYAYWSUZIPHE-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.60
Rot. Bonds9

About 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide

6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 59446821) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID59446821
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ncn1
InChIInChI=1S/C22H26N6O/c1-2-10-27(14-17-7-8-17)21-13-20(23-16-24-21)22(29)26-19-6-3-5-18(12-19)15-28-11-4-9-25-28/h3-6,9,11-13,16-17H,2,7-8,10,14-15H2,1H3,(H,26,29)
InChIKeyBCTYAYWSUZIPHE-UHFFFAOYSA-N
XLogP3.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide (CID 59446821) is 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ncn1.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is BCTYAYWSUZIPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-10-27(14-17-7-8-17)21-13-20(23-16-24-21)22(29)26-19-6-3-5-18(12-19)15-28-11-4-9-25-28/h3-6,9,11-13,16-17H,2,7-8,10,14-15H2,1H3,(H,26,29).
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide?
6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propyl)amino]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 59446821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).