N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide

C20H31N5O — CID 156605220

IUPACN-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide
SMILESCc1cc(C2CCC2)nc(N2CC(NC(=O)CN(C)C)C(C3CC3)C2)n1
InChIInChI=1S/C20H31N5O/c1-13-9-17(15-5-4-6-15)23-20(21-13)25-10-16(14-7-8-14)18(11-25)22-19(26)12-24(2)3/h9,14-16,18H,4-8,10-12H2,1-3H3,(H,22,26)
InChIKeyVLAUHCNQSHJQQG-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.95
Rot. Bonds6

About N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide

N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide (PubChem CID 156605220) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide
PubChem CID156605220
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide
SMILESCc1cc(C2CCC2)nc(N2CC(NC(=O)CN(C)C)C(C3CC3)C2)n1
InChIInChI=1S/C20H31N5O/c1-13-9-17(15-5-4-6-15)23-20(21-13)25-10-16(14-7-8-14)18(11-25)22-19(26)12-24(2)3/h9,14-16,18H,4-8,10-12H2,1-3H3,(H,22,26)
InChIKeyVLAUHCNQSHJQQG-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide (CID 156605220) is N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide is Cc1cc(C2CCC2)nc(N2CC(NC(=O)CN(C)C)C(C3CC3)C2)n1.
What is the InChIKey of N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide?
The InChIKey is VLAUHCNQSHJQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-13-9-17(15-5-4-6-15)23-20(21-13)25-10-16(14-7-8-14)18(11-25)22-19(26)12-24(2)3/h9,14-16,18H,4-8,10-12H2,1-3H3,(H,22,26).
What are the key properties of N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide?
N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide has a molecular weight of 357.50 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 156605220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).