5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C10H16N4O3 — CID 136706908

IUPAC5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2nc[nH]c(=O)c2N)CC1OC
InChIInChI=1S/C10H16N4O3/c1-16-6-3-14(4-7(6)17-2)9-8(11)10(15)13-5-12-9/h5-7H,3-4,11H2,1-2H3,(H,12,13,15)
InChIKeyAGJCBVLSZYAOFK-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.80
Rot. Bonds3

About 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136706908) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136706908
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2nc[nH]c(=O)c2N)CC1OC
InChIInChI=1S/C10H16N4O3/c1-16-6-3-14(4-7(6)17-2)9-8(11)10(15)13-5-12-9/h5-7H,3-4,11H2,1-2H3,(H,12,13,15)
InChIKeyAGJCBVLSZYAOFK-UHFFFAOYSA-N
XLogP-0.80
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241424
5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586322
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706911
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766522
5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781028
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825660
5-amino-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852191
4-(3,4-dimethoxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136868275

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136706908) is 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is COC1CN(c2nc[nH]c(=O)c2N)CC1OC.
What is the InChIKey of 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is AGJCBVLSZYAOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-16-6-3-14(4-7(6)17-2)9-8(11)10(15)13-5-12-9/h5-7H,3-4,11H2,1-2H3,(H,12,13,15).
What are the key properties of 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).