6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione

C14H19N5O2 — CID 60648991

IUPAC6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCc2cccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N5O2/c1-9(2)8-19-12(15)11(13(20)18-14(19)21)17-7-10-4-3-5-16-6-10/h3-6,9,17H,7-8,15H2,1-2H3,(H,18,20,21)
InChIKeyHYZBZDSBDIREBT-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.78
Rot. Bonds5

About 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 60648991) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione
PubChem CID60648991
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCc2cccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N5O2/c1-9(2)8-19-12(15)11(13(20)18-14(19)21)17-7-10-4-3-5-16-6-10/h3-6,9,17H,7-8,15H2,1-2H3,(H,18,20,21)
InChIKeyHYZBZDSBDIREBT-UHFFFAOYSA-N
XLogP0.78
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione (CID 60648991) is 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NCc2cccnc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is HYZBZDSBDIREBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9(2)8-19-12(15)11(13(20)18-14(19)21)17-7-10-4-3-5-16-6-10/h3-6,9,17H,7-8,15H2,1-2H3,(H,18,20,21).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 60648991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).