2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

C17H27N5O2 — CID 136536584

IUPAC2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCN1CCC(C2CCN(C(=O)c3cc(=O)[nH]c(N(C)C)n3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-20(2)17-18-14(10-15(23)19-17)16(24)22-9-6-13(11-22)12-4-7-21(3)8-5-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,19,23)
InChIKeySGQWAEONBAJFFG-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.64
Rot. Bonds3

About 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 136536584) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID136536584
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCN1CCC(C2CCN(C(=O)c3cc(=O)[nH]c(N(C)C)n3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-20(2)17-18-14(10-15(23)19-17)16(24)22-9-6-13(11-22)12-4-7-21(3)8-5-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,19,23)
InChIKeySGQWAEONBAJFFG-UHFFFAOYSA-N
XLogP0.64
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 136761450
CID 136761450
CID 137154125
CID 137154125
CID 136795509
CID 136795509
CID 136888242
CID 136888242
CID 136888243
CID 136888243
CID 137025287
CID 137025287
CID 137027869
CID 137027869
CID 137999875
CID 137999875
CID 138001593
CID 138001593
CID 166408736
CID 166408736

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (CID 136536584) is 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is CN1CCC(C2CCN(C(=O)c3cc(=O)[nH]c(N(C)C)n3)C2)CC1.
What is the InChIKey of 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is SGQWAEONBAJFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)17-18-14(10-15(23)19-17)16(24)22-9-6-13(11-22)12-4-7-21(3)8-5-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,19,23).
What are the key properties of 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 333.44 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136536584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).