1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C26H40N6S — CID 142946937

IUPAC1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(N)C1CCCCC1.CCc1cnn2c(Nc3ccc(SN(C)C)cc3)cc(C)nc12
InChIInChI=1S/C17H21N5S.C9H19N/c1-5-13-11-18-22-16(10-12(2)19-17(13)22)20-14-6-8-15(9-7-14)23-21(3)4;1-2-9(10)8-6-4-3-5-7-8/h6-11,20H,5H2,1-4H3;8-9H,2-7,10H2,1H3
InChIKeyIOVNTKRIAQILKA-UHFFFAOYSA-N
MW468.72 g/mol
LogP6.22
Rot. Bonds7

About 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 142946937) has the molecular formula C26H40N6S and a molecular weight of 468.72 g/mol. Its IUPAC name is 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID142946937
Molecular FormulaC26H40N6S
Molecular Weight468.72 g/mol
Exact Mass468.30
IUPAC Name1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(N)C1CCCCC1.CCc1cnn2c(Nc3ccc(SN(C)C)cc3)cc(C)nc12
InChIInChI=1S/C17H21N5S.C9H19N/c1-5-13-11-18-22-16(10-12(2)19-17(13)22)20-14-6-8-15(9-7-14)23-21(3)4;1-2-9(10)8-6-4-3-5-7-8/h6-11,20H,5H2,1-4H3;8-9H,2-7,10H2,1H3
InChIKeyIOVNTKRIAQILKA-UHFFFAOYSA-N
XLogP6.22
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.72
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 142946996
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 58938394
ethane;4-[[3-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide
CID 142946941
trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409689
N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide
CID 146180221
4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane
CID 142946928
N-cyclopropyl-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126491418
tert-butyl N-[1-[7-(3-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-yl]carbamate
CID 122596912
N-cyclohexyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46299146
4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide
CID 142946934
N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2045207
3-bromo-N-[4-(cyclohexylamino)sulfanylphenyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142876582

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 142946937) is 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCC(N)C1CCCCC1.CCc1cnn2c(Nc3ccc(SN(C)C)cc3)cc(C)nc12.
What is the InChIKey of 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IOVNTKRIAQILKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S.C9H19N/c1-5-13-11-18-22-16(10-12(2)19-17(13)22)20-14-6-8-15(9-7-14)23-21(3)4;1-2-9(10)8-6-4-3-5-7-8/h6-11,20H,5H2,1-4H3;8-9H,2-7,10H2,1H3.
What are the key properties of 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 468.72 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 142946937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).