N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide

C14H20N4O — CID 155974233

IUPACN-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C14H20N4O/c1-10(19)17(2)12-5-6-18(8-12)14-7-13(11-3-4-11)15-9-16-14/h7,9,11-12H,3-6,8H2,1-2H3
InChIKeyDQLCNSNNUQNJDN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.41
Rot. Bonds3

About N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide

N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 155974233) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID155974233
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C14H20N4O/c1-10(19)17(2)12-5-6-18(8-12)14-7-13(11-3-4-11)15-9-16-14/h7,9,11-12H,3-6,8H2,1-2H3
InChIKeyDQLCNSNNUQNJDN-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335566
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
N-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133305493
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
2-cyclopropyl-N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172901438
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 171335953
N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 155974234
N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
CID 155974091
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357867

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide (CID 155974233) is N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is DQLCNSNNUQNJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(19)17(2)12-5-6-18(8-12)14-7-13(11-3-4-11)15-9-16-14/h7,9,11-12H,3-6,8H2,1-2H3.
What are the key properties of N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 260.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 155974233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).