4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine

C21H29N5 — CID 56895668

IUPAC4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC3(CCCN(CCc4ccccc4)C3)C2)nc(N)n1
InChIInChI=1S/C21H29N5/c1-17-14-19(24-20(22)23-17)26-13-10-21(16-26)9-5-11-25(15-21)12-8-18-6-3-2-4-7-18/h2-4,6-7,14H,5,8-13,15-16H2,1H3,(H2,22,23,24)
InChIKeyHUNKIIULGISTLM-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.90
Rot. Bonds4

About 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine

4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine (PubChem CID 56895668) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine
PubChem CID56895668
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC3(CCCN(CCc4ccccc4)C3)C2)nc(N)n1
InChIInChI=1S/C21H29N5/c1-17-14-19(24-20(22)23-17)26-13-10-21(16-26)9-5-11-25(15-21)12-8-18-6-3-2-4-7-18/h2-4,6-7,14H,5,8-13,15-16H2,1H3,(H2,22,23,24)
InChIKeyHUNKIIULGISTLM-UHFFFAOYSA-N
XLogP2.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
CID 95726693
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
CID 97202620
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone
CID 45248581
2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
CID 45208898
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine (CID 56895668) is 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine is Cc1cc(N2CCC3(CCCN(CCc4ccccc4)C3)C2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine?
The InChIKey is HUNKIIULGISTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-17-14-19(24-20(22)23-17)26-13-10-21(16-26)9-5-11-25(15-21)12-8-18-6-3-2-4-7-18/h2-4,6-7,14H,5,8-13,15-16H2,1H3,(H2,22,23,24).
What are the key properties of 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine?
4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine has a molecular weight of 351.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 56895668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).