(6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C15H23N5O — CID 97122849

IUPAC(6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cc(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)ncn1
InChIInChI=1S/C15H23N5O/c1-12-9-13(18-11-17-12)20-8-7-19(2)15(10-20)4-3-14(21)16-6-5-15/h9,11H,3-8,10H2,1-2H3,(H,16,21)/t15-/m0/s1
InChIKeyZRLUUEXLWKFBOF-HNNXBMFYSA-N
MW289.38 g/mol
LogP0.58
Rot. Bonds1

About (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97122849) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97122849
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cc(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)ncn1
InChIInChI=1S/C15H23N5O/c1-12-9-13(18-11-17-12)20-8-7-19(2)15(10-20)4-3-14(21)16-6-5-15/h9,11H,3-8,10H2,1-2H3,(H,16,21)/t15-/m0/s1
InChIKeyZRLUUEXLWKFBOF-HNNXBMFYSA-N
XLogP0.58
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97122849) is (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1cc(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)ncn1.
What is the InChIKey of (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is ZRLUUEXLWKFBOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-9-13(18-11-17-12)20-8-7-19(2)15(10-20)4-3-14(21)16-6-5-15/h9,11H,3-8,10H2,1-2H3,(H,16,21)/t15-/m0/s1.
What are the key properties of (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 289.38 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97122849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).