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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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).