6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione

C9H13N5O2 — CID 20668499

IUPAC6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CN2CCN=C2N)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N5O2/c1-5-6(12-9(16)13-7(5)15)4-14-3-2-11-8(14)10/h2-4H2,1H3,(H2,10,11)(H2,12,13,15,16)
InChIKeyPZTTUTUNLBVCNK-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.50
Rot. Bonds2

About 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione

6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 20668499) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID20668499
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CN2CCN=C2N)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N5O2/c1-5-6(12-9(16)13-7(5)15)4-14-3-2-11-8(14)10/h2-4H2,1H3,(H2,10,11)(H2,12,13,15,16)
InChIKeyPZTTUTUNLBVCNK-UHFFFAOYSA-N
XLogP-1.50
TPSA107.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione (CID 20668499) is 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(CN2CCN=C2N)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is PZTTUTUNLBVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5-6(12-9(16)13-7(5)15)4-14-3-2-11-8(14)10/h2-4H2,1H3,(H2,10,11)(H2,12,13,15,16).
What are the key properties of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 223.24 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20668499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).