5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C10H16N4O2 — CID 137009756

IUPAC5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-16-5-7-2-3-14(4-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyMERQTENOUIIGSN-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.18
Rot. Bonds3

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

5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009756) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009756
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-16-5-7-2-3-14(4-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyMERQTENOUIIGSN-UHFFFAOYSA-N
XLogP-0.18
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586431
5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677204
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590
5-amino-4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136794222
5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136876798
5-amino-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905785
5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136918142
5-iodo-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136957942
4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136957945
5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974107
5-amino-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974123

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 137009756) is 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is COCC1CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MERQTENOUIIGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-5-7-2-3-14(4-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5,11H2,1H3,(H,12,13,15).
What are the key properties of 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).