2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one

C10H16N4O — CID 136848975

IUPAC2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc([C@H]2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-14(2)10-12-8(5-9(15)13-10)7-3-4-11-6-7/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)/t7-/m0/s1
InChIKeyJQUUFBDEPNTDGS-ZETCQYMHSA-N
MW208.26 g/mol
LogP-0.09
Rot. Bonds2

About 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136848975) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136848975
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc([C@H]2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-14(2)10-12-8(5-9(15)13-10)7-3-4-11-6-7/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)/t7-/m0/s1
InChIKeyJQUUFBDEPNTDGS-ZETCQYMHSA-N
XLogP-0.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136848975) is 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one is CN(C)c1nc([C@H]2CCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is JQUUFBDEPNTDGS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14(2)10-12-8(5-9(15)13-10)7-3-4-11-6-7/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)/t7-/m0/s1.
What are the key properties of 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136848975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).