4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one

C9H14N4O2 — CID 136900908

IUPAC4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESCO[C@H]1CNCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-15-7-4-10-3-6(7)13-8-2-9(14)12-5-11-8/h2,5-7,10H,3-4H2,1H3,(H2,11,12,13,14)/t6?,7-/m0/s1
InChIKeyRKJHDRWAGWJXGL-MLWJPKLSSA-N
MW210.24 g/mol
LogP-0.83
Rot. Bonds3

About 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one

4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136900908) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
PubChem CID136900908
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESCO[C@H]1CNCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-15-7-4-10-3-6(7)13-8-2-9(14)12-5-11-8/h2,5-7,10H,3-4H2,1H3,(H2,11,12,13,14)/t6?,7-/m0/s1
InChIKeyRKJHDRWAGWJXGL-MLWJPKLSSA-N
XLogP-0.83
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one (CID 136900908) is 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one is CO[C@H]1CNCC1Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is RKJHDRWAGWJXGL-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-15-7-4-10-3-6(7)13-8-2-9(14)12-5-11-8/h2,5-7,10H,3-4H2,1H3,(H2,11,12,13,14)/t6?,7-/m0/s1.
What are the key properties of 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).