(6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H29N5O — CID 97187948

IUPAC(6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1nccc(N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)n1
InChIInChI=1S/C19H29N5O/c1-15-20-9-6-17(21-15)24-12-11-22(2)19(14-24)7-5-18(25)23(10-8-19)13-16-3-4-16/h6,9,16H,3-5,7-8,10-14H2,1-2H3/t19-/m0/s1
InChIKeyLUDCQWORZOCDOT-IBGZPJMESA-N
MW343.48 g/mol
LogP1.70
Rot. Bonds3

About (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97187948) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97187948
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1nccc(N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)n1
InChIInChI=1S/C19H29N5O/c1-15-20-9-6-17(21-15)24-12-11-22(2)19(14-24)7-5-18(25)23(10-8-19)13-16-3-4-16/h6,9,16H,3-5,7-8,10-14H2,1-2H3/t19-/m0/s1
InChIKeyLUDCQWORZOCDOT-IBGZPJMESA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-10-(cyclopropylmethyl)-1-methyl-4-(2-methyl-4-pyridinyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100899695
(6R)-10-(cyclopropylmethyl)-4-(4,6-dimethylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100900253
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127057
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97114072
2-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile
CID 70737212
(6S)-10-(cyclopropylmethyl)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97200483
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97121140
4-(6-cyclopropylpyrimidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72857942
4-(6-cyclopropylpyrimidin-4-yl)-10-(2-hydroxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72885348
10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72898045
4-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]benzonitrile
CID 72845478
(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97131703

Frequently Asked Questions

What is the IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97187948) is (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1nccc(N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)n1.
What is the InChIKey of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is LUDCQWORZOCDOT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-20-9-6-17(21-15)24-12-11-22(2)19(14-24)7-5-18(25)23(10-8-19)13-16-3-4-16/h6,9,16H,3-5,7-8,10-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 343.48 g/mol, XLogP of 1.70, 3 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-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97187948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).