N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C20H34N6O — CID 56892424

IUPACN-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCCc1nc(C)cc(NCCNC(=O)C2CC3(CCNCC3)CN2)n1
InChIInChI=1S/C20H34N6O/c1-3-4-5-17-25-15(2)12-18(26-17)22-10-11-23-19(27)16-13-20(14-24-16)6-8-21-9-7-20/h12,16,21,24H,3-11,13-14H2,1-2H3,(H,23,27)(H,22,25,26)
InChIKeyKKRMMQWEGWUGDO-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.39
Rot. Bonds8

About N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56892424) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56892424
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC NameN-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCCc1nc(C)cc(NCCNC(=O)C2CC3(CCNCC3)CN2)n1
InChIInChI=1S/C20H34N6O/c1-3-4-5-17-25-15(2)12-18(26-17)22-10-11-23-19(27)16-13-20(14-24-16)6-8-21-9-7-20/h12,16,21,24H,3-11,13-14H2,1-2H3,(H,23,27)(H,22,25,26)
InChIKeyKKRMMQWEGWUGDO-UHFFFAOYSA-N
XLogP1.39
TPSA90.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56892424) is N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCCc1nc(C)cc(NCCNC(=O)C2CC3(CCNCC3)CN2)n1.
What is the InChIKey of N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is KKRMMQWEGWUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O/c1-3-4-5-17-25-15(2)12-18(26-17)22-10-11-23-19(27)16-13-20(14-24-16)6-8-21-9-7-20/h12,16,21,24H,3-11,13-14H2,1-2H3,(H,23,27)(H,22,25,26).
What are the key properties of N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.39, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56892424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).