2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

C14H22N4O2 — CID 136979760

IUPAC2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H22N4O2/c1-17(2)7-10-5-11(19)8-18(10)12-6-13(20)16-14(15-12)9-3-4-9/h6,9-11,19H,3-5,7-8H2,1-2H3,(H,15,16,20)
InChIKeyWVPWSNOJIFUNPB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.15
Rot. Bonds4

About 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979760) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979760
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H22N4O2/c1-17(2)7-10-5-11(19)8-18(10)12-6-13(20)16-14(15-12)9-3-4-9/h6,9-11,19H,3-5,7-8H2,1-2H3,(H,15,16,20)
InChIKeyWVPWSNOJIFUNPB-UHFFFAOYSA-N
XLogP0.15
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284164
1-(6-amino-2-methylpyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856423
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814
2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137009710
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 136959028
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
2-cyclopropyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007945
2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
CID 136978614
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 66057235

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136979760) is 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is CN(C)CC1CC(O)CN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WVPWSNOJIFUNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(2)7-10-5-11(19)8-18(10)12-6-13(20)16-14(15-12)9-3-4-9/h6,9-11,19H,3-5,7-8H2,1-2H3,(H,15,16,20).
What are the key properties of 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).