1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one

C10H16N4O2 — CID 170176042

IUPAC1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one
SMILESCNc1ccn(C2CCC(C)(N)O2)c(=O)n1
InChIInChI=1S/C10H16N4O2/c1-10(11)5-3-8(16-10)14-6-4-7(12-2)13-9(14)15/h4,6,8H,3,5,11H2,1-2H3,(H,12,13,15)
InChIKeyBPJBDTHLAUSPKL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.27
Rot. Bonds2

About 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one

1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one (PubChem CID 170176042) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one
PubChem CID170176042
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one
SMILESCNc1ccn(C2CCC(C)(N)O2)c(=O)n1
InChIInChI=1S/C10H16N4O2/c1-10(11)5-3-8(16-10)14-6-4-7(12-2)13-9(14)15/h4,6,8H,3,5,11H2,1-2H3,(H,12,13,15)
InChIKeyBPJBDTHLAUSPKL-UHFFFAOYSA-N
XLogP0.27
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one?
The IUPAC name of 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one (CID 170176042) is 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one.
What is the SMILES notation for 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one?
The canonical SMILES for 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one is CNc1ccn(C2CCC(C)(N)O2)c(=O)n1.
What is the InChIKey of 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one?
The InChIKey is BPJBDTHLAUSPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(11)5-3-8(16-10)14-6-4-7(12-2)13-9(14)15/h4,6,8H,3,5,11H2,1-2H3,(H,12,13,15).
What are the key properties of 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one?
1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-methyloxolan-2-yl)-4-(methylamino)pyrimidin-2-one is sourced from PubChem (CID 170176042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).