5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione

C9H15N3O2 — CID 13433981

IUPAC5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione
SMILESCc1c(N)c(=O)n(C(C)C)c(=O)n1C
InChIInChI=1S/C9H15N3O2/c1-5(2)12-8(13)7(10)6(3)11(4)9(12)14/h5H,10H2,1-4H3
InChIKeyVGGNVXWBCWZREM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.02
Rot. Bonds1

About 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione

5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione (PubChem CID 13433981) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione
PubChem CID13433981
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione
SMILESCc1c(N)c(=O)n(C(C)C)c(=O)n1C
InChIInChI=1S/C9H15N3O2/c1-5(2)12-8(13)7(10)6(3)11(4)9(12)14/h5H,10H2,1-4H3
InChIKeyVGGNVXWBCWZREM-UHFFFAOYSA-N
XLogP0.02
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Diamino-1,3-dimethyluracil
CID 79501
6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
CID 385990
5-Amino-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 57357509
Uracil, 5-(dimethylamino)-1,3,6-trimethyl-
CID 217287
5,6-Diamino-1,3-dipropyl-2,4(1H,3H)-pyrimidinedione
CID 5098605
5,6-Diamino-1,3-diethyluracil Hydrochloride
CID 71299790
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
5-(Dimethylamino)-6-methylpyrimidine-2,4-diol
CID 717730
5-Acetylamino-6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 12257486
Acetamide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57296
Butyramide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57938
N-(1-Butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(trimethylazaniumyl)ethanimidate--hydrogen bromide (1/1)
CID 59538

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione (CID 13433981) is 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione is Cc1c(N)c(=O)n(C(C)C)c(=O)n1C.
What is the InChIKey of 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is VGGNVXWBCWZREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(2)12-8(13)7(10)6(3)11(4)9(12)14/h5H,10H2,1-4H3.
What are the key properties of 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione?
5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 13433981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).