4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C7H10N4O — CID 82652523

IUPAC4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESNc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C7H10N4O/c8-6-4-1-2-9-3-5(4)10-7(12)11-6/h9H,1-3H2,(H3,8,10,11,12)
InChIKeyUBUXPRILAQMSRE-UHFFFAOYSA-N
MW166.18 g/mol
LogP-1.00
Rot. Bonds

About 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 82652523) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID82652523
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESNc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C7H10N4O/c8-6-4-1-2-9-3-5(4)10-7(12)11-6/h9H,1-3H2,(H3,8,10,11,12)
InChIKeyUBUXPRILAQMSRE-UHFFFAOYSA-N
XLogP-1.00
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 82652523) is 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is Nc1nc(=O)[nH]c2c1CCNC2.
What is the InChIKey of 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is UBUXPRILAQMSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-6-4-1-2-9-3-5(4)10-7(12)11-6/h9H,1-3H2,(H3,8,10,11,12).
What are the key properties of 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 166.18 g/mol, XLogP of -1.00, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 82652523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).