(6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H32N6O — CID 97128030

IUPAC(6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCc1cc(N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)nc(N(C)C)n1
InChIInChI=1S/C19H32N6O/c1-6-15-13-16(21-18(20-15)22(2)3)25-12-11-24(5)19(14-25)8-7-17(26)23(4)10-9-19/h13H,6-12,14H2,1-5H3/t19-/m0/s1
InChIKeyCETNPKMJNOAKAB-IBGZPJMESA-N
MW360.51 g/mol
LogP1.24
Rot. Bonds3

About (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97128030) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97128030
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name(6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCc1cc(N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)nc(N(C)C)n1
InChIInChI=1S/C19H32N6O/c1-6-15-13-16(21-18(20-15)22(2)3)25-12-11-24(5)19(14-25)8-7-17(26)23(4)10-9-19/h13H,6-12,14H2,1-5H3/t19-/m0/s1
InChIKeyCETNPKMJNOAKAB-IBGZPJMESA-N
XLogP1.24
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100904569
8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72933500
(6S)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97116400
(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201141
1,10-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70718609
4-(6-cyclopropylpyrimidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72857942
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72911744
4-(6-cyclopropylpyrimidin-4-yl)-10-(2-hydroxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72885348
(6R)-10-(cyclopropylmethyl)-4-(4,6-dimethylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100900253
(6R)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100905563
4-[(4-tert-butylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759678

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97128030) is (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCc1cc(N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)nc(N(C)C)n1.
What is the InChIKey of (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is CETNPKMJNOAKAB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N6O/c1-6-15-13-16(21-18(20-15)22(2)3)25-12-11-24(5)19(14-25)8-7-17(26)23(4)10-9-19/h13H,6-12,14H2,1-5H3/t19-/m0/s1.
What are the key properties of (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 360.51 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97128030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).