N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C20H27N5O2S — CID 42870903

IUPACN,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(N4CCCC4)nc(N(C)C)c3C2)cc1
InChIInChI=1S/C20H27N5O2S/c1-15-6-8-16(9-7-15)28(26,27)25-13-10-18-17(14-25)19(23(2)3)22-20(21-18)24-11-4-5-12-24/h6-9H,4-5,10-14H2,1-3H3
InChIKeyOFLYUCDIIPJMPO-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.20
Rot. Bonds4

About N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 42870903) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID42870903
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(N4CCCC4)nc(N(C)C)c3C2)cc1
InChIInChI=1S/C20H27N5O2S/c1-15-6-8-16(9-7-15)28(26,27)25-13-10-18-17(14-25)19(23(2)3)22-20(21-18)24-11-4-5-12-24/h6-9H,4-5,10-14H2,1-3H3
InChIKeyOFLYUCDIIPJMPO-UHFFFAOYSA-N
XLogP2.20
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870910
6-(4-methylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42870892
6-(3-methylphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072787
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 12608464
6-(benzenesulfonyl)-4-(4-methoxyphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46050786
6-ethylsulfonyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 46050874
6-(4-bromophenyl)sulfonyl-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 4620600
4-(2-fluorophenoxy)-6-(3-methylphenyl)sulfonyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072914
N,N-dimethyl-7-methylsulfonyl-2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155869459
[4-(dimethylamino)-2-[4-(4-methylphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
CID 42855403
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621137
4-N,5-dimethyl-4-N-(4-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine-4,6-diamine
CID 21101355

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 42870903) is N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(S(=O)(=O)N2CCc3nc(N4CCCC4)nc(N(C)C)c3C2)cc1.
What is the InChIKey of N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is OFLYUCDIIPJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-15-6-8-16(9-7-15)28(26,27)25-13-10-18-17(14-25)19(23(2)3)22-20(21-18)24-11-4-5-12-24/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 401.54 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 42870903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).