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

C10H16N4O3 — CID 136900910

IUPAC5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CNC[C@@H]2OC)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-16-7-4-11-3-6(7)14-9-8(17-2)10(15)13-5-12-9/h5-7,11H,3-4H2,1-2H3,(H2,12,13,14,15)/t6?,7-/m0/s1
InChIKeyVXTAYHNAHTVNJR-MLWJPKLSSA-N
MW240.26 g/mol
LogP-0.82
Rot. Bonds4

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

5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136900910) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
PubChem CID136900910
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CNC[C@@H]2OC)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-16-7-4-11-3-6(7)14-9-8(17-2)10(15)13-5-12-9/h5-7,11H,3-4H2,1-2H3,(H2,12,13,14,15)/t6?,7-/m0/s1
InChIKeyVXTAYHNAHTVNJR-MLWJPKLSSA-N
XLogP-0.82
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679992
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706904
5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706908
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one (CID 136900910) is 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one is COc1c(NC2CNC[C@@H]2OC)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is VXTAYHNAHTVNJR-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-16-7-4-11-3-6(7)14-9-8(17-2)10(15)13-5-12-9/h5-7,11H,3-4H2,1-2H3,(H2,12,13,14,15)/t6?,7-/m0/s1.
What are the key properties of 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one?
5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).