5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione

C9H13N3O3 — CID 165479640

IUPAC5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
SMILESNc1cn(C[C@H]2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c10-7-5-12(9(14)11-8(7)13)4-6-2-1-3-15-6/h5-6H,1-4,10H2,(H,11,13,14)/t6-/m1/s1
InChIKeyHCMYLKSTFOPANZ-ZCFIWIBFSA-N
MW211.22 g/mol
LogP-0.70
Rot. Bonds2

About 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione

5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 165479640) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID165479640
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
SMILESNc1cn(C[C@H]2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c10-7-5-12(9(14)11-8(7)13)4-6-2-1-3-15-6/h5-6H,1-4,10H2,(H,11,13,14)/t6-/m1/s1
InChIKeyHCMYLKSTFOPANZ-ZCFIWIBFSA-N
XLogP-0.70
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875071
5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64535130
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
5-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-dione
CID 115114598
5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 80501846
2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687
5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione
CID 97031240
5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione
CID 106929489
methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
CID 61293123
5-amino-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 165482338
3-amino-1-(oxan-2-ylmethyl)pyridin-4-one
CID 82990845
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione (CID 165479640) is 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione is Nc1cn(C[C@H]2CCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is HCMYLKSTFOPANZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-7-5-12(9(14)11-8(7)13)4-6-2-1-3-15-6/h5-6H,1-4,10H2,(H,11,13,14)/t6-/m1/s1.
What are the key properties of 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione?
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 165479640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).