8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H24N6O3 — CID 91839631

IUPAC8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C)C2(CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)C1=O
InChIInChI=1S/C17H24N6O3/c1-21-14(25)17(22(2)16(21)26)3-5-23(6-4-17)13-9-12(19-15(18)20-13)10-7-11(24)8-10/h9-11,24H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyHAKCAOBKCDEAQU-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.16
Rot. Bonds2

About 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 91839631) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID91839631
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C)C2(CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)C1=O
InChIInChI=1S/C17H24N6O3/c1-21-14(25)17(22(2)16(21)26)3-5-23(6-4-17)13-9-12(19-15(18)20-13)10-7-11(24)8-10/h9-11,24H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyHAKCAOBKCDEAQU-UHFFFAOYSA-N
XLogP0.16
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol
CID 91779555
3-[2-amino-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91763301
3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91796859
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91772177
4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 91798018
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 91787107
8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 72858507
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91791280
(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72858530

Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 91839631) is 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(C)C2(CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)C1=O.
What is the InChIKey of 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HAKCAOBKCDEAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-21-14(25)17(22(2)16(21)26)3-5-23(6-4-17)13-9-12(19-15(18)20-13)10-7-11(24)8-10/h9-11,24H,3-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 360.42 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91839631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).