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

C19H29N5O — CID 98807719

IUPAC(6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cc(C2CCC2)nc(N2CCN(C)[C@]3(CCNC(=O)CC3)C2)n1
InChIInChI=1S/C19H29N5O/c1-14-12-16(15-4-3-5-15)22-18(21-14)24-11-10-23(2)19(13-24)7-6-17(25)20-9-8-19/h12,15H,3-11,13H2,1-2H3,(H,20,25)/t19-/m1/s1
InChIKeyLVRBHWCKINXDAZ-LJQANCHMSA-N
MW343.48 g/mol
LogP1.84
Rot. Bonds2

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

(6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 98807719) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID98807719
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cc(C2CCC2)nc(N2CCN(C)[C@]3(CCNC(=O)CC3)C2)n1
InChIInChI=1S/C19H29N5O/c1-14-12-16(15-4-3-5-15)22-18(21-14)24-11-10-23(2)19(13-24)7-6-17(25)20-9-8-19/h12,15H,3-11,13H2,1-2H3,(H,20,25)/t19-/m1/s1
InChIKeyLVRBHWCKINXDAZ-LJQANCHMSA-N
XLogP1.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 98807719) is (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1cc(C2CCC2)nc(N2CCN(C)[C@]3(CCNC(=O)CC3)C2)n1.
What is the InChIKey of (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is LVRBHWCKINXDAZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14-12-16(15-4-3-5-15)22-18(21-14)24-11-10-23(2)19(13-24)7-6-17(25)20-9-8-19/h12,15H,3-11,13H2,1-2H3,(H,20,25)/t19-/m1/s1.
What are the key properties of (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 343.48 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 98807719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).