N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride

C17H22ClN3S — CID 73293729

IUPACN,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCSc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl
InChIInChI=1S/C17H21N3S.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H
InChIKeyBTNDLGVDTZDXFH-UHFFFAOYSA-N
MW335.90 g/mol
LogP4.43
Rot. Bonds3

About N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride

N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (PubChem CID 73293729) has the molecular formula C17H22ClN3S and a molecular weight of 335.90 g/mol. Its IUPAC name is N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
PubChem CID73293729
Molecular FormulaC17H22ClN3S
Molecular Weight335.90 g/mol
Exact Mass335.12
IUPAC NameN,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCSc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl
InChIInChI=1S/C17H21N3S.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H
InChIKeyBTNDLGVDTZDXFH-UHFFFAOYSA-N
XLogP4.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 122628505
CID 122628505
CID 943582
CID 943582
CID 1998473
CID 1998473
CID 3554656
CID 3554656
CID 73294109
CID 73294109
CID 73294298
CID 73294298
CID 3743910
CID 3743910
CID 73293731
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CID 73293733
CID 73293733

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (CID 73293729) is N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is CSc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl.
What is the InChIKey of N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The InChIKey is BTNDLGVDTZDXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H.
What are the key properties of N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 73293729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).