6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione

C10H17N3O2 — CID 83856883

IUPAC6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(C(C)CN)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O2/c1-6(5-11)8-7(2)9(14)13(4)10(15)12(8)3/h6H,5,11H2,1-4H3
InChIKeyHBIOHOOWLCKPFH-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.55
Rot. Bonds2

About 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione

6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione (PubChem CID 83856883) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione
PubChem CID83856883
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(C(C)CN)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O2/c1-6(5-11)8-7(2)9(14)13(4)10(15)12(8)3/h6H,5,11H2,1-4H3
InChIKeyHBIOHOOWLCKPFH-UHFFFAOYSA-N
XLogP-0.55
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
CID 68874576
5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione
CID 165398099
2-(7-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 83868342
2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84628715
1,3,5-trimethyl-2,6-dioxopyrimidine-4-carbonitrile
CID 169129319
6-amino-5-(2-aminopropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 170890934
1,3,5-trimethyl-6-prop-1-en-2-ylpyrimidine-2,4-dione
CID 12766605
6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione
CID 18798239
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142
6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 45496500
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4110339
3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one
CID 117365701

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione (CID 83856883) is 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione is Cc1c(C(C)CN)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione?
The InChIKey is HBIOHOOWLCKPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(5-11)8-7(2)9(14)13(4)10(15)12(8)3/h6H,5,11H2,1-4H3.
What are the key properties of 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione?
6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-yl)-1,3,5-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 83856883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).