4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C12H17ClN2 — CID 63891705

IUPAC4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC(C)(C)Cc1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C12H17ClN2/c1-12(2,3)7-10-14-9-6-4-5-8(9)11(13)15-10/h4-7H2,1-3H3
InChIKeyBBMICUOMFVKFKH-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.21
Rot. Bonds1

About 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 63891705) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID63891705
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC(C)(C)Cc1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C12H17ClN2/c1-12(2,3)7-10-14-9-6-4-5-8(9)11(13)15-10/h4-7H2,1-3H3
InChIKeyBBMICUOMFVKFKH-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61392950
1-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078275
2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine
CID 115345603
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405761
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
CID 63892135
4-chloro-2-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55131237
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382080
4-chloro-2-(3-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 65095175
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 63891705) is 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC(C)(C)Cc1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BBMICUOMFVKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-12(2,3)7-10-14-9-6-4-5-8(9)11(13)15-10/h4-7H2,1-3H3.
What are the key properties of 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 224.73 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 63891705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).