chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol

C15H19Cl2N3O — CID 145296675

IUPACchlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol
SMILESCNc1nc(Cl)nc2c1CCC2.CO.Clc1ccccc1
InChIInChI=1S/C8H10ClN3.C6H5Cl.CH4O/c1-10-7-5-3-2-4-6(5)11-8(9)12-7;7-6-4-2-1-3-5-6;1-2/h2-4H2,1H3,(H,10,11,12);1-5H;2H,1H3
InChIKeyRTOFFDJSOACKQK-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.61
Rot. Bonds1

About chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol

chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol (PubChem CID 145296675) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol.

Molecular Properties

Compound Namechlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol
PubChem CID145296675
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Namechlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol
SMILESCNc1nc(Cl)nc2c1CCC2.CO.Clc1ccccc1
InChIInChI=1S/C8H10ClN3.C6H5Cl.CH4O/c1-10-7-5-3-2-4-6(5)11-8(9)12-7;7-6-4-2-1-3-5-6;1-2/h2-4H2,1H3,(H,10,11,12);1-5H;2H,1H3
InChIKeyRTOFFDJSOACKQK-UHFFFAOYSA-N
XLogP3.61
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol?
The IUPAC name of chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol (CID 145296675) is chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol.
What is the SMILES notation for chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol?
The canonical SMILES for chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol is CNc1nc(Cl)nc2c1CCC2.CO.Clc1ccccc1.
What is the InChIKey of chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol?
The InChIKey is RTOFFDJSOACKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3.C6H5Cl.CH4O/c1-10-7-5-3-2-4-6(5)11-8(9)12-7;7-6-4-2-1-3-5-6;1-2/h2-4H2,1H3,(H,10,11,12);1-5H;2H,1H3.
What are the key properties of chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol?
chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol has a molecular weight of 328.24 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;2-chloro-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;methanol is sourced from PubChem (CID 145296675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).