3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

C16H24N6O — CID 91764763

IUPAC3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(CCCc1nccn1C)c1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C16H24N6O/c1-21(6-3-4-14-18-5-7-22(14)2)15-10-13(19-16(17)20-15)11-8-12(23)9-11/h5,7,10-12,23H,3-4,6,8-9H2,1-2H3,(H2,17,19,20)
InChIKeyXBNATNQDCCNGGM-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.10
Rot. Bonds6

About 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91764763) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91764763
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(CCCc1nccn1C)c1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C16H24N6O/c1-21(6-3-4-14-18-5-7-22(14)2)15-10-13(19-16(17)20-15)11-8-12(23)9-11/h5,7,10-12,23H,3-4,6,8-9H2,1-2H3,(H2,17,19,20)
InChIKeyXBNATNQDCCNGGM-UHFFFAOYSA-N
XLogP1.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91764763) is 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(CCCc1nccn1C)c1cc(C2CC(O)C2)nc(N)n1.
What is the InChIKey of 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is XBNATNQDCCNGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-21(6-3-4-14-18-5-7-22(14)2)15-10-13(19-16(17)20-15)11-8-12(23)9-11/h5,7,10-12,23H,3-4,6,8-9H2,1-2H3,(H2,17,19,20).
What are the key properties of 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 316.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91764763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).