N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine

C20H31N7 — CID 72903235

IUPACN-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)n1
InChIInChI=1S/C20H31N7/c1-4-21-17-5-9-22-19(25-17)26-11-7-20(8-12-26)18-16(23-14-24-18)6-10-27(20)13-15(2)3/h5,9,14-15H,4,6-8,10-13H2,1-3H3,(H,23,24)(H,21,22,25)
InChIKeyKQKIAJBNLQQMSL-UHFFFAOYSA-N
MW369.52 g/mol
LogP2.64
Rot. Bonds5

About N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine

N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine (PubChem CID 72903235) has the molecular formula C20H31N7 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine
PubChem CID72903235
Molecular FormulaC20H31N7
Molecular Weight369.52 g/mol
Exact Mass369.26
IUPAC NameN-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)n1
InChIInChI=1S/C20H31N7/c1-4-21-17-5-9-22-19(25-17)26-11-7-20(8-12-26)18-16(23-14-24-18)6-10-27(20)13-15(2)3/h5,9,14-15H,4,6-8,10-13H2,1-3H3,(H,23,24)(H,21,22,25)
InChIKeyKQKIAJBNLQQMSL-UHFFFAOYSA-N
XLogP2.64
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine (CID 72903235) is N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine is CCNc1ccnc(N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)n1.
What is the InChIKey of N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine?
The InChIKey is KQKIAJBNLQQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7/c1-4-21-17-5-9-22-19(25-17)26-11-7-20(8-12-26)18-16(23-14-24-18)6-10-27(20)13-15(2)3/h5,9,14-15H,4,6-8,10-13H2,1-3H3,(H,23,24)(H,21,22,25).
What are the key properties of N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine?
N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine has a molecular weight of 369.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]pyrimidin-4-amine is sourced from PubChem (CID 72903235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).