4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine

C10H15ClN2O — CID 177012504

IUPAC4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine
SMILESCCOCc1cnc(C(C)C)nc1Cl
InChIInChI=1S/C10H15ClN2O/c1-4-14-6-8-5-12-10(7(2)3)13-9(8)11/h5,7H,4,6H2,1-3H3
InChIKeyWRKVMWDJEYSMNT-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.79
Rot. Bonds4

About 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine

4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine (PubChem CID 177012504) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine
PubChem CID177012504
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine
SMILESCCOCc1cnc(C(C)C)nc1Cl
InChIInChI=1S/C10H15ClN2O/c1-4-14-6-8-5-12-10(7(2)3)13-9(8)11/h5,7H,4,6H2,1-3H3
InChIKeyWRKVMWDJEYSMNT-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83851947
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528
4-chloro-5-[[(3S)-oxolan-3-yl]oxymethyl]-2-propan-2-ylpyrimidine
CID 177012443
4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane
CID 177012346
2-chloro-5-(ethoxymethyl)pyrimidin-4-amine
CID 170969920
4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80974281
4-chloro-5-[(3-fluoro-4-methylpyrrolidin-1-yl)methyl]-2-propan-2-ylpyrimidine
CID 177012165
5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride
CID 159577118
5-chloro-2,4-di(propan-2-yl)pyrimidine
CID 121312283
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175
2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 106994675
(4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83852543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine (CID 177012504) is 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine is CCOCc1cnc(C(C)C)nc1Cl.
What is the InChIKey of 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine?
The InChIKey is WRKVMWDJEYSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-4-14-6-8-5-12-10(7(2)3)13-9(8)11/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine?
4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine has a molecular weight of 214.70 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 177012504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).