3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione

C10H15N3O3 — CID 129497344

IUPAC3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NC[C@H]2CCCO2)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-13-9(14)5-8(12-10(13)15)11-6-7-3-2-4-16-7/h5,7,11H,2-4,6H2,1H3,(H,12,15)/t7-/m1/s1
InChIKeyFXXLBACYUUHIHV-SSDOTTSWSA-N
MW225.25 g/mol
LogP-0.34
Rot. Bonds3

About 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione

3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione (PubChem CID 129497344) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione
PubChem CID129497344
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NC[C@H]2CCCO2)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-13-9(14)5-8(12-10(13)15)11-6-7-3-2-4-16-7/h5,7,11H,2-4,6H2,1H3,(H,12,15)/t7-/m1/s1
InChIKeyFXXLBACYUUHIHV-SSDOTTSWSA-N
XLogP-0.34
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione (CID 129497344) is 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(NC[C@H]2CCCO2)[nH]c1=O.
What is the InChIKey of 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione?
The InChIKey is FXXLBACYUUHIHV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13-9(14)5-8(12-10(13)15)11-6-7-3-2-4-16-7/h5,7,11H,2-4,6H2,1H3,(H,12,15)/t7-/m1/s1.
What are the key properties of 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione?
3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione has a molecular weight of 225.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129497344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).