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

C9H15N5O2 — CID 136900914

IUPAC5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESCO[C@H]1CNCC1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-16-6-3-11-2-5(6)14-8-7(10)9(15)13-4-12-8/h4-6,11H,2-3,10H2,1H3,(H2,12,13,14,15)/t5?,6-/m0/s1
InChIKeyAWPGZSYWWZWJJL-GDVGLLTNSA-N
MW225.25 g/mol
LogP-1.25
Rot. Bonds3

About 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one

5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136900914) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
PubChem CID136900914
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESCO[C@H]1CNCC1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-16-6-3-11-2-5(6)14-8-7(10)9(15)13-4-12-8/h4-6,11H,2-3,10H2,1H3,(H2,12,13,14,15)/t5?,6-/m0/s1
InChIKeyAWPGZSYWWZWJJL-GDVGLLTNSA-N
XLogP-1.25
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586322
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696636
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706908
5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781028
5-amino-4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805760
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852191
5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870578
4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136900908
5-bromo-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136900909

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one (CID 136900914) is 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one is CO[C@H]1CNCC1Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is AWPGZSYWWZWJJL-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-16-6-3-11-2-5(6)14-8-7(10)9(15)13-4-12-8/h4-6,11H,2-3,10H2,1H3,(H2,12,13,14,15)/t5?,6-/m0/s1.
What are the key properties of 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).