2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide

C30H38N8O2S — CID 167229708

About 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide

2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 167229708) has the molecular formula C30H38N8O2S and a molecular weight of 574.76 g/mol. Its IUPAC name is 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
• PubChem CID: 167229708
• Molecular Formula: C30H38N8O2S
• Molecular Weight: 574.76 g/mol
• Exact Mass: 574.28
• IUPAC Name: 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
• SMILES: C=CCNC(=O)c1cnc(Nc2cc3c(c(C4CC4)c2)CC(N(C)C)CC3)nc1Nc1cccc(N=S(C)(C)=O)n1
• InChI: InChI=1S/C30H38N8O2S/c1-6-14-31-29(39)25-18-32-30(36-28(25)35-26-8-7-9-27(34-26)37-41(4,5)40)33-21-15-20-12-13-22(38(2)3)17-24(20)23(16-21)19-10-11-19/h6-9,15-16,18-19,22H,1,10-14,17H2,2-5H3,(H,31,39)(H2,32,33,34,35,36)
• InChIKey: FCEZVYBCZRUVLI-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 124.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.76
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide?

The IUPAC name of 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide (CID 167229708) is 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide.

What is the SMILES notation for 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide?

The canonical SMILES for 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(Nc2cc3c(c(C4CC4)c2)CC(N(C)C)CC3)nc1Nc1cccc(N=S(C)(C)=O)n1.

What is the InChIKey of 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide?

The InChIKey is FCEZVYBCZRUVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O2S/c1-6-14-31-29(39)25-18-32-30(36-28(25)35-26-8-7-9-27(34-26)37-41(4,5)40)33-21-15-20-12-13-22(38(2)3)17-24(20)23(16-21)19-10-11-19/h6-9,15-16,18-19,22H,1,10-14,17H2,2-5H3,(H,31,39)(H2,32,33,34,35,36).

What are the key properties of 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide?

2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 574.76 g/mol, XLogP of 4.93, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-cyclopropyl-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 167229708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).