6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

C21H27N5O — CID 153321098

IUPAC6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC2)n1
InChIInChI=1S/C21H27N5O/c1-25(13-10-16-6-3-2-4-7-16)21-23-18(20(27)22-15-17-8-9-17)14-19(24-21)26-11-5-12-26/h2-4,6-7,14,17H,5,8-13,15H2,1H3,(H,22,27)
InChIKeySFILTTJAYBZQKE-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.51
Rot. Bonds8

About 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 153321098) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
PubChem CID153321098
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC2)n1
InChIInChI=1S/C21H27N5O/c1-25(13-10-16-6-3-2-4-7-16)21-23-18(20(27)22-15-17-8-9-17)14-19(24-21)26-11-5-12-26/h2-4,6-7,14,17H,5,8-13,15H2,1H3,(H,22,27)
InChIKeySFILTTJAYBZQKE-UHFFFAOYSA-N
XLogP2.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (CID 153321098) is 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC2)n1.
What is the InChIKey of 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is SFILTTJAYBZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-25(13-10-16-6-3-2-4-7-16)21-23-18(20(27)22-15-17-8-9-17)14-19(24-21)26-11-5-12-26/h2-4,6-7,14,17H,5,8-13,15H2,1H3,(H,22,27).
What are the key properties of 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 153321098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).