4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine

C10H15ClN2 — CID 176739063

IUPAC4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine
SMILESCC(c1cncnc1Cl)C(C)(C)C
InChIInChI=1S/C10H15ClN2/c1-7(10(2,3)4)8-5-12-6-13-9(8)11/h5-7H,1-4H3
InChIKeyHZMKKOWXEVJDAC-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.28
Rot. Bonds1

About 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine

4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine (PubChem CID 176739063) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine
PubChem CID176739063
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine
SMILESCC(c1cncnc1Cl)C(C)(C)C
InChIInChI=1S/C10H15ClN2/c1-7(10(2,3)4)8-5-12-6-13-9(8)11/h5-7H,1-4H3
InChIKeyHZMKKOWXEVJDAC-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-chloro-2-methylpropyl)-4-(trifluoromethyl)pyrimidine
CID 22648742
3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171867605
5-[(1R)-1-chloroethyl]-4-methylpyrimidine
CID 94587761
4-chloro-5-methylsulfonylpyrimidine
CID 105446605
chloromethane;4-chloropyrimidine-5-carbonitrile;ethane
CID 160597687
3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine
CID 176739073
[2-(4-chloropyrimidin-5-yl)-2-methylsulfanylethyl] formate
CID 174485925
4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine
CID 176739154
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol
CID 131745489
4-(3,3-dimethylbutan-2-yl)-3-iodopyridine
CID 170214211
[2-(4-chloropyrimidin-5-yl)-2-sulfanylethyl] formate;methane
CID 174578363
2-(4,6-dichloropyrimidin-5-yl)propan-2-ol
CID 131034112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine (CID 176739063) is 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine is CC(c1cncnc1Cl)C(C)(C)C.
What is the InChIKey of 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine?
The InChIKey is HZMKKOWXEVJDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7(10(2,3)4)8-5-12-6-13-9(8)11/h5-7H,1-4H3.
What are the key properties of 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine?
4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine has a molecular weight of 198.70 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine is sourced from PubChem (CID 176739063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).