5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one

C9H12ClN3O2 — CID 136977168

IUPAC5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2nc[nH]c(=O)c2Cl)CCOC1
InChIInChI=1S/C9H12ClN3O2/c1-9(2-3-15-4-9)13-7-6(10)8(14)12-5-11-7/h5H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyWQIMHRQOLQGJLO-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.01
Rot. Bonds2

About 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136977168) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136977168
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2nc[nH]c(=O)c2Cl)CCOC1
InChIInChI=1S/C9H12ClN3O2/c1-9(2-3-15-4-9)13-7-6(10)8(14)12-5-11-7/h5H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyWQIMHRQOLQGJLO-UHFFFAOYSA-N
XLogP1.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(3-methyloxan-3-yl)amino]-1H-pyrimidin-6-one
CID 136824071
5-chloro-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870657
5-chloro-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871932
5-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136971517
5-chloro-4-[methyl(oxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136971520
5-chloro-4-[(4-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136971603
5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136974082
5-chloro-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974507
4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one
CID 136974563
5-chloro-4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136975107
5-chloro-4-[2-(3-methylbutoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975181
5-chloro-4-(1-methoxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136975911

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136977168) is 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is CC1(Nc2nc[nH]c(=O)c2Cl)CCOC1.
What is the InChIKey of 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WQIMHRQOLQGJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-9(2-3-15-4-9)13-7-6(10)8(14)12-5-11-7/h5H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 229.67 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).