(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O2 — CID 95223658

IUPAC(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(C(C)C)ncc1C(=O)N1CC[C@]2(CCCN(C)C2=O)C1
InChIInChI=1S/C18H26N4O2/c1-12(2)15-19-10-14(13(3)20-15)16(23)22-9-7-18(11-22)6-5-8-21(4)17(18)24/h10,12H,5-9,11H2,1-4H3/t18-/m1/s1
InChIKeyAITMKAJZIXMHEA-GOSISDBHSA-N
MW330.43 g/mol
LogP1.99
Rot. Bonds2

About (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95223658) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95223658
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(C(C)C)ncc1C(=O)N1CC[C@]2(CCCN(C)C2=O)C1
InChIInChI=1S/C18H26N4O2/c1-12(2)15-19-10-14(13(3)20-15)16(23)22-9-7-18(11-22)6-5-8-21(4)17(18)24/h10,12H,5-9,11H2,1-4H3/t18-/m1/s1
InChIKeyAITMKAJZIXMHEA-GOSISDBHSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 50957957
7-methyl-2-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56909632
(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97191427
2-(2-amino-4-methylpyrimidine-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119070658
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
CID 100752745
2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 119059917
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 56915501
(4-methylpiperidin-1-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 100752713
2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131688867

Frequently Asked Questions

What is the IUPAC name of (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 95223658) is (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nc(C(C)C)ncc1C(=O)N1CC[C@]2(CCCN(C)C2=O)C1.
What is the InChIKey of (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AITMKAJZIXMHEA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)15-19-10-14(13(3)20-15)16(23)22-9-7-18(11-22)6-5-8-21(4)17(18)24/h10,12H,5-9,11H2,1-4H3/t18-/m1/s1.
What are the key properties of (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.43 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95223658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).