4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one

C14H16N4O — CID 136978760

IUPAC4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCc3cc(N)ccc32)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O/c1-8-16-13(7-14(19)17-8)18-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H2,16,17,18,19)
InChIKeyCYPNGYZNCMAILA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.76
Rot. Bonds2

About 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136978760) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136978760
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCc3cc(N)ccc32)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O/c1-8-16-13(7-14(19)17-8)18-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H2,16,17,18,19)
InChIKeyCYPNGYZNCMAILA-UHFFFAOYSA-N
XLogP1.76
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136978760) is 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2CCc3cc(N)ccc32)cc(=O)[nH]1.
What is the InChIKey of 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CYPNGYZNCMAILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-16-13(7-14(19)17-8)18-12-5-2-9-6-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).