N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine

C15H19N5O2 — CID 97255599

IUPACN-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESc1cn(-c2cc(N[C@@H]3CCO[C@]4(CCOC4)C3)ncn2)cn1
InChIInChI=1S/C15H19N5O2/c1-5-22-15(2-6-21-9-15)8-12(1)19-13-7-14(18-10-17-13)20-4-3-16-11-20/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,17,18,19)/t12-,15-/m1/s1
InChIKeyQFSOJHGCZZDYHQ-IUODEOHRSA-N
MW301.35 g/mol
LogP1.41
Rot. Bonds3

About N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine

N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine (PubChem CID 97255599) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine
PubChem CID97255599
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESc1cn(-c2cc(N[C@@H]3CCO[C@]4(CCOC4)C3)ncn2)cn1
InChIInChI=1S/C15H19N5O2/c1-5-22-15(2-6-21-9-15)8-12(1)19-13-7-14(18-10-17-13)20-4-3-16-11-20/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,17,18,19)/t12-,15-/m1/s1
InChIKeyQFSOJHGCZZDYHQ-IUODEOHRSA-N
XLogP1.41
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine (CID 97255599) is N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine is c1cn(-c2cc(N[C@@H]3CCO[C@]4(CCOC4)C3)ncn2)cn1.
What is the InChIKey of N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine?
The InChIKey is QFSOJHGCZZDYHQ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-5-22-15(2-6-21-9-15)8-12(1)19-13-7-14(18-10-17-13)20-4-3-16-11-20/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,17,18,19)/t12-,15-/m1/s1.
What are the key properties of N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine?
N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 97255599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).