N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H19N3OS — CID 122628501

IUPACN,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(C)c3ccc(S(C)=O)cc3)n1)CCC2
InChIInChI=1S/C16H19N3OS/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(10-8-12)21(3)20/h7-10H,4-6H2,1-3H3
InChIKeySQVLNGGPKMOFNL-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.78
Rot. Bonds3

About N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 122628501) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID122628501
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(C)c3ccc(S(C)=O)cc3)n1)CCC2
InChIInChI=1S/C16H19N3OS/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(10-8-12)21(3)20/h7-10H,4-6H2,1-3H3
InChIKeySQVLNGGPKMOFNL-UHFFFAOYSA-N
XLogP2.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 122628501) is N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1nc2c(c(N(C)c3ccc(S(C)=O)cc3)n1)CCC2.
What is the InChIKey of N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is SQVLNGGPKMOFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(10-8-12)21(3)20/h7-10H,4-6H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylsulfinylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 122628501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).