(6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H33N5O — CID 97118902

IUPAC(6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCCc1cncnc1N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1
InChIInChI=1S/C21H33N5O/c1-3-4-18-13-22-16-23-20(18)26-12-11-24(2)21(15-26)8-7-19(27)25(10-9-21)14-17-5-6-17/h13,16-17H,3-12,14-15H2,1-2H3/t21-/m0/s1
InChIKeyAFCXHQFYCKQSLJ-NRFANRHFSA-N
MW371.53 g/mol
LogP2.34
Rot. Bonds5

About (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97118902) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97118902
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCCc1cncnc1N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1
InChIInChI=1S/C21H33N5O/c1-3-4-18-13-22-16-23-20(18)26-12-11-24(2)21(15-26)8-7-19(27)25(10-9-21)14-17-5-6-17/h13,16-17H,3-12,14-15H2,1-2H3/t21-/m0/s1
InChIKeyAFCXHQFYCKQSLJ-NRFANRHFSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97118902) is (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CCCc1cncnc1N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1.
What is the InChIKey of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is AFCXHQFYCKQSLJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H33N5O/c1-3-4-18-13-22-16-23-20(18)26-12-11-24(2)21(15-26)8-7-19(27)25(10-9-21)14-17-5-6-17/h13,16-17H,3-12,14-15H2,1-2H3/t21-/m0/s1.
What are the key properties of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 371.53 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97118902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).