2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine

C9H12Cl2N2 — CID 10513045

IUPAC2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine
SMILESCCc1nc(Cl)nc(Cl)c1C(C)C
InChIInChI=1S/C9H12Cl2N2/c1-4-6-7(5(2)3)8(10)13-9(11)12-6/h5H,4H2,1-3H3
InChIKeyXSRYNBPNLMOYPP-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.47
Rot. Bonds2

About 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine

2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine (PubChem CID 10513045) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine
PubChem CID10513045
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine
SMILESCCc1nc(Cl)nc(Cl)c1C(C)C
InChIInChI=1S/C9H12Cl2N2/c1-4-6-7(5(2)3)8(10)13-9(11)12-6/h5H,4H2,1-3H3
InChIKeyXSRYNBPNLMOYPP-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-(2-chloroethyl)-6-methylpyrimidine
CID 600353
4-Chloro-5-ethyl-6-methylpyrimidin-2-amine
CID 676462
4-Chloro-6-(1-methylethyl)-2-pyrimidinamine
CID 2773619
4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine
CID 13707820
2,4,5-Trichloro-6-ethylpyrimidine
CID 246015
2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine
CID 260784
2,4-dichloro-5H,6H,7H-cyclopenta(d)pyrimidine
CID 231331
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 351135
4-Chloro-5,6,7,8-tetrahydroquinazoline
CID 12582969
2,4-Dichloro-5,6,7,8-tetrahydroquinazoline
CID 12602864
2,4-Dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline
CID 14145430

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine?
The IUPAC name of 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine (CID 10513045) is 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine is CCc1nc(Cl)nc(Cl)c1C(C)C.
What is the InChIKey of 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine?
The InChIKey is XSRYNBPNLMOYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-4-6-7(5(2)3)8(10)13-9(11)12-6/h5H,4H2,1-3H3.
What are the key properties of 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine?
2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine has a molecular weight of 219.11 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-ethyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 10513045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).