4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136730163

IUPAC4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(N)nc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-7-10(12)13-9(14-11(7)15)6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeyMCSILJFLDNMNIT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.77
Rot. Bonds2

About 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136730163) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136730163
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(N)nc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-7-10(12)13-9(14-11(7)15)6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeyMCSILJFLDNMNIT-UHFFFAOYSA-N
XLogP0.77
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730197
4-hydroxy-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613102
4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249125
4-hydroxy-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249127
5-ethyl-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249129
4-hydroxy-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 104249131
4-hydroxy-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249142
2-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104253719
5-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104253721
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206191
4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135996576

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136730163) is 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is Cc1c(N)nc(CC2CCCCO2)[nH]c1=O.
What is the InChIKey of 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is MCSILJFLDNMNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-10(12)13-9(14-11(7)15)6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H3,12,13,14,15).
What are the key properties of 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).