N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide

C25H31N5O — CID 166712327

IUPACN-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide
SMILESC/C(=N\c1c(C)ncnc1N1CC2(CC2)c2cc(C)ccc21)C(=O)NC1CCCCC1
InChIInChI=1S/C25H31N5O/c1-16-9-10-21-20(13-16)25(11-12-25)14-30(21)23-22(17(2)26-15-27-23)28-18(3)24(31)29-19-7-5-4-6-8-19/h9-10,13,15,19H,4-8,11-12,14H2,1-3H3,(H,29,31)/b28-18+
InChIKeyBEHWSHBKVMGZAG-MTDXEUNCSA-N
MW417.56 g/mol
LogP4.82
Rot. Bonds4

About N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide

N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide (PubChem CID 166712327) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide
PubChem CID166712327
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide
SMILESC/C(=N\c1c(C)ncnc1N1CC2(CC2)c2cc(C)ccc21)C(=O)NC1CCCCC1
InChIInChI=1S/C25H31N5O/c1-16-9-10-21-20(13-16)25(11-12-25)14-30(21)23-22(17(2)26-15-27-23)28-18(3)24(31)29-19-7-5-4-6-8-19/h9-10,13,15,19H,4-8,11-12,14H2,1-3H3,(H,29,31)/b28-18+
InChIKeyBEHWSHBKVMGZAG-MTDXEUNCSA-N
XLogP4.82
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide?
The IUPAC name of N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide (CID 166712327) is N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide?
The canonical SMILES for N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide is C/C(=N\c1c(C)ncnc1N1CC2(CC2)c2cc(C)ccc21)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide?
The InChIKey is BEHWSHBKVMGZAG-MTDXEUNCSA-N. The full InChI is InChI=1S/C25H31N5O/c1-16-9-10-21-20(13-16)25(11-12-25)14-30(21)23-22(17(2)26-15-27-23)28-18(3)24(31)29-19-7-5-4-6-8-19/h9-10,13,15,19H,4-8,11-12,14H2,1-3H3,(H,29,31)/b28-18+.
What are the key properties of N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide?
N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide has a molecular weight of 417.56 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide is sourced from PubChem (CID 166712327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).