2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C17H25N5O — CID 171387553

IUPAC2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(N)nc3c2CCNC3=O)C1
InChIInChI=1S/C17H25N5O/c1-16(2)6-10-7-17(3,8-16)9-22(10)13-11-4-5-19-14(23)12(11)20-15(18)21-13/h10H,4-9H2,1-3H3,(H,19,23)(H2,18,20,21)/t10-,17-/m1/s1
InChIKeyHWNRLDYAYHPIAK-BMLIUANNSA-N
MW315.42 g/mol
LogP1.75
Rot. Bonds1

About 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171387553) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171387553
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(N)nc3c2CCNC3=O)C1
InChIInChI=1S/C17H25N5O/c1-16(2)6-10-7-17(3,8-16)9-22(10)13-11-4-5-19-14(23)12(11)20-15(18)21-13/h10H,4-9H2,1-3H3,(H,19,23)(H2,18,20,21)/t10-,17-/m1/s1
InChIKeyHWNRLDYAYHPIAK-BMLIUANNSA-N
XLogP1.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171387553) is 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(N)nc3c2CCNC3=O)C1.
What is the InChIKey of 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is HWNRLDYAYHPIAK-BMLIUANNSA-N. The full InChI is InChI=1S/C17H25N5O/c1-16(2)6-10-7-17(3,8-16)9-22(10)13-11-4-5-19-14(23)12(11)20-15(18)21-13/h10H,4-9H2,1-3H3,(H,19,23)(H2,18,20,21)/t10-,17-/m1/s1.
What are the key properties of 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 315.42 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171387553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).