5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 136905801

IUPAC5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyWSVNBKOOVIBQCV-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.65
Rot. Bonds4

About 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136905801) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136905801
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyWSVNBKOOVIBQCV-UHFFFAOYSA-N
XLogP1.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786677
5-chloro-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905791
5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905795
4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136905798
4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905802
5-bromo-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905803
5-chloro-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974507
5-chloro-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974511
5-chloro-4-[(2-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976188
5-chloro-4-[1-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136977440
5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 137000576
4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 137017319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136905801) is 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CCC1OCCC1CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is WSVNBKOOVIBQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-8-7(3-4-17-8)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136905801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).