10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H29N5OS — CID 70783774

IUPAC10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCSc1nccc(N2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)n1
InChIInChI=1S/C19H29N5OS/c1-22-11-12-24(16-6-9-20-18(21-16)26-2)14-19(22)7-5-17(25)23(10-8-19)13-15-3-4-15/h6,9,15H,3-5,7-8,10-14H2,1-2H3
InChIKeyIVEIXUBNXUZBHV-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.11
Rot. Bonds4

About 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70783774) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70783774
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Name10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCSc1nccc(N2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)n1
InChIInChI=1S/C19H29N5OS/c1-22-11-12-24(16-6-9-20-18(21-16)26-2)14-19(22)7-5-17(25)23(10-8-19)13-15-3-4-15/h6,9,15H,3-5,7-8,10-14H2,1-2H3
InChIKeyIVEIXUBNXUZBHV-UHFFFAOYSA-N
XLogP2.11
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70783774) is 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CSc1nccc(N2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)n1.
What is the InChIKey of 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is IVEIXUBNXUZBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5OS/c1-22-11-12-24(16-6-9-20-18(21-16)26-2)14-19(22)7-5-17(25)23(10-8-19)13-15-3-4-15/h6,9,15H,3-5,7-8,10-14H2,1-2H3.
What are the key properties of 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 375.54 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-1-methyl-4-(2-methylsulfanylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70783774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).