(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

C14H20N4O — CID 125118280

IUPAC(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1
InChIInChI=1S/C14H20N4O/c1-15-11-3-2-8-18(9-11)14(19)12-6-7-16-13(17-12)10-4-5-10/h6-7,10-11,15H,2-5,8-9H2,1H3/t11-/m1/s1
InChIKeyWETNABLWEHCQBA-LLVKDONJSA-N
MW260.34 g/mol
LogP1.18
Rot. Bonds3

About (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 125118280) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID125118280
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1
InChIInChI=1S/C14H20N4O/c1-15-11-3-2-8-18(9-11)14(19)12-6-7-16-13(17-12)10-4-5-10/h6-7,10-11,15H,2-5,8-9H2,1H3/t11-/m1/s1
InChIKeyWETNABLWEHCQBA-LLVKDONJSA-N
XLogP1.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95767169
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 125149419
[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 119488384
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818
[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026721
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (CID 125118280) is (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is CN[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is WETNABLWEHCQBA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O/c1-15-11-3-2-8-18(9-11)14(19)12-6-7-16-13(17-12)10-4-5-10/h6-7,10-11,15H,2-5,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 125118280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).