6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride

C11H19ClN4O3 — CID 126477197

IUPAC6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride
SMILESCC(C)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-6(2)13-5-7(16)8-9(12)14(3)11(18)15(4)10(8)17;/h6,13H,5,12H2,1-4H3;1H
InChIKeyLOGCUALKUKLEEF-UHFFFAOYSA-N
MW290.75 g/mol
LogP-0.73
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride

6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride (PubChem CID 126477197) has the molecular formula C11H19ClN4O3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride
PubChem CID126477197
Molecular FormulaC11H19ClN4O3
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC Name6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride
SMILESCC(C)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-6(2)13-5-7(16)8-9(12)14(3)11(18)15(4)10(8)17;/h6,13H,5,12H2,1-4H3;1H
InChIKeyLOGCUALKUKLEEF-UHFFFAOYSA-N
XLogP-0.73
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride (CID 126477197) is 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride is CC(C)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.Cl.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is LOGCUALKUKLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3.ClH/c1-6(2)13-5-7(16)8-9(12)14(3)11(18)15(4)10(8)17;/h6,13H,5,12H2,1-4H3;1H.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride?
6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 126477197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).