4-chloro-2-(1,4-dioxan-2-yl)pyrimidine

C8H9ClN2O2 — CID 65350726

IUPAC4-chloro-2-(1,4-dioxan-2-yl)pyrimidine
SMILESClc1ccnc(C2COCCO2)n1
InChIInChI=1S/C8H9ClN2O2/c9-7-1-2-10-8(11-7)6-5-12-3-4-13-6/h1-2,6H,3-5H2
InChIKeySZYJZNSSOVAZCN-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.22
Rot. Bonds1

About 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine

4-chloro-2-(1,4-dioxan-2-yl)pyrimidine (PubChem CID 65350726) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,4-dioxan-2-yl)pyrimidine
PubChem CID65350726
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name4-chloro-2-(1,4-dioxan-2-yl)pyrimidine
SMILESClc1ccnc(C2COCCO2)n1
InChIInChI=1S/C8H9ClN2O2/c9-7-1-2-10-8(11-7)6-5-12-3-4-13-6/h1-2,6H,3-5H2
InChIKeySZYJZNSSOVAZCN-UHFFFAOYSA-N
XLogP1.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-chloroethyl)-2-(1,4-dioxan-2-yl)-4-methylpyrimidine
CID 65352084
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
2-(1,4-dioxan-2-yl)pyridine;hydrochloride
CID 174921928
4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine
CID 87631921
2-(1,4-dioxan-2-yl)pyrazine
CID 67225701
2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid
CID 65351840
5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
CID 66292667
5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine
CID 66292604
4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 65353789
5-bromo-2-(1,4-dioxan-2-yl)pyridine
CID 130138724
3-(1,4-dioxan-2-yl)-2,5-dimethylpyrazine
CID 156770959
5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole
CID 132529895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine (CID 65350726) is 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine is Clc1ccnc(C2COCCO2)n1.
What is the InChIKey of 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine?
The InChIKey is SZYJZNSSOVAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-7-1-2-10-8(11-7)6-5-12-3-4-13-6/h1-2,6H,3-5H2.
What are the key properties of 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine?
4-chloro-2-(1,4-dioxan-2-yl)pyrimidine has a molecular weight of 200.62 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,4-dioxan-2-yl)pyrimidine is sourced from PubChem (CID 65350726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).