4,5-dichloro-2-propan-2-ylpyrimidine

C7H8Cl2N2 — CID 58333528

IUPAC4,5-dichloro-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(Cl)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2/c1-4(2)7-10-3-5(8)6(9)11-7/h3-4H,1-2H3
InChIKeyIOCQKOMZZMAXHQ-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.91
Rot. Bonds1

About 4,5-dichloro-2-propan-2-ylpyrimidine

4,5-dichloro-2-propan-2-ylpyrimidine (PubChem CID 58333528) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is 4,5-dichloro-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,5-dichloro-2-propan-2-ylpyrimidine
PubChem CID58333528
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name4,5-dichloro-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(Cl)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2/c1-4(2)7-10-3-5(8)6(9)11-7/h3-4H,1-2H3
InChIKeyIOCQKOMZZMAXHQ-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2,4-di(propan-2-yl)pyrimidine
CID 121312283
(4-chloro-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83851947
4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine
CID 177012504
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015370
azocan-1-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62021698
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-propan-2-ylpyrimidine?
The IUPAC name of 4,5-dichloro-2-propan-2-ylpyrimidine (CID 58333528) is 4,5-dichloro-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4,5-dichloro-2-propan-2-ylpyrimidine?
The canonical SMILES for 4,5-dichloro-2-propan-2-ylpyrimidine is CC(C)c1ncc(Cl)c(Cl)n1.
What is the InChIKey of 4,5-dichloro-2-propan-2-ylpyrimidine?
The InChIKey is IOCQKOMZZMAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2/c1-4(2)7-10-3-5(8)6(9)11-7/h3-4H,1-2H3.
What are the key properties of 4,5-dichloro-2-propan-2-ylpyrimidine?
4,5-dichloro-2-propan-2-ylpyrimidine has a molecular weight of 191.06 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-propan-2-ylpyrimidine is sourced from PubChem (CID 58333528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).