1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide

C19H27N7O — CID 91800655

IUPAC1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide
SMILESCCCCc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N2CCC2C(N)=O)n1
InChIInChI=1S/C19H27N7O/c1-2-3-7-13-10-16(22-17-11-14(24-25-17)12-5-4-6-12)23-19(21-13)26-9-8-15(26)18(20)27/h10-12,15H,2-9H2,1H3,(H2,20,27)(H2,21,22,23,24,25)
InChIKeyJJSPOZHKIUUQOQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.62
Rot. Bonds8

About 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide

1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide (PubChem CID 91800655) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide
PubChem CID91800655
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide
SMILESCCCCc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N2CCC2C(N)=O)n1
InChIInChI=1S/C19H27N7O/c1-2-3-7-13-10-16(22-17-11-14(24-25-17)12-5-4-6-12)23-19(21-13)26-9-8-15(26)18(20)27/h10-12,15H,2-9H2,1H3,(H2,20,27)(H2,21,22,23,24,25)
InChIKeyJJSPOZHKIUUQOQ-UHFFFAOYSA-N
XLogP2.62
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide?
The IUPAC name of 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide (CID 91800655) is 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide.
What is the SMILES notation for 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide?
The canonical SMILES for 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide is CCCCc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N2CCC2C(N)=O)n1.
What is the InChIKey of 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide?
The InChIKey is JJSPOZHKIUUQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-2-3-7-13-10-16(22-17-11-14(24-25-17)12-5-4-6-12)23-19(21-13)26-9-8-15(26)18(20)27/h10-12,15H,2-9H2,1H3,(H2,20,27)(H2,21,22,23,24,25).
What are the key properties of 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide?
1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide is sourced from PubChem (CID 91800655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).