6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine

C15H25N5O — CID 135108137

IUPAC6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(N2C[C@@H]3COC[C@H](C2)N(C)C3)ncn1
InChIInChI=1S/C15H25N5O/c1-11(2)18-14-4-15(17-10-16-14)20-6-12-5-19(3)13(7-20)9-21-8-12/h4,10-13H,5-9H2,1-3H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyZFQMXAYIHOQKSB-OLZOCXBDSA-N
MW291.40 g/mol
LogP1.06
Rot. Bonds3

About 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine

6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine (PubChem CID 135108137) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine
PubChem CID135108137
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(N2C[C@@H]3COC[C@H](C2)N(C)C3)ncn1
InChIInChI=1S/C15H25N5O/c1-11(2)18-14-4-15(17-10-16-14)20-6-12-5-19(3)13(7-20)9-21-8-12/h4,10-13H,5-9H2,1-3H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyZFQMXAYIHOQKSB-OLZOCXBDSA-N
XLogP1.06
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine (CID 135108137) is 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1cc(N2C[C@@H]3COC[C@H](C2)N(C)C3)ncn1.
What is the InChIKey of 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZFQMXAYIHOQKSB-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)18-14-4-15(17-10-16-14)20-6-12-5-19(3)13(7-20)9-21-8-12/h4,10-13H,5-9H2,1-3H3,(H,16,17,18)/t12-,13+/m1/s1.
What are the key properties of 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine?
6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 135108137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).