6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione

C12H20N4O2 — CID 113248923

IUPAC6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-3-6-16-9(13)8(10(17)15-11(16)18)14-7-12(2)4-5-12/h14H,3-7,13H2,1-2H3,(H,15,17,18)
InChIKeySHVGANLQRGZAJT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.74
Rot. Bonds5

About 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione

6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 113248923) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID113248923
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-3-6-16-9(13)8(10(17)15-11(16)18)14-7-12(2)4-5-12/h14H,3-7,13H2,1-2H3,(H,15,17,18)
InChIKeySHVGANLQRGZAJT-UHFFFAOYSA-N
XLogP0.74
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103847814
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 103761646
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 63967441
6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
CID 66108166
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione (CID 113248923) is 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC2(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is SHVGANLQRGZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-6-16-9(13)8(10(17)15-11(16)18)14-7-12(2)4-5-12/h14H,3-7,13H2,1-2H3,(H,15,17,18).
What are the key properties of 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 113248923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).