6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione

C12H20N4O2 — CID 103659754

IUPAC6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC2CC2(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-4-16-9(13)8(10(17)15-11(16)18)14-6-7-5-12(7,2)3/h7,14H,4-6,13H2,1-3H3,(H,15,17,18)
InChIKeyHKVSFVPNAHIQDR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.60
Rot. Bonds4

About 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione

6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione (PubChem CID 103659754) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione
PubChem CID103659754
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC2CC2(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-4-16-9(13)8(10(17)15-11(16)18)14-6-7-5-12(7,2)3/h7,14H,4-6,13H2,1-3H3,(H,15,17,18)
InChIKeyHKVSFVPNAHIQDR-UHFFFAOYSA-N
XLogP0.60
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.60
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-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione
CID 115625293
6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 103761646
6-amino-1-ethyl-5-[(4-methylmorpholin-2-yl)methylamino]pyrimidine-2,4-dione
CID 78916170
6-amino-1-ethyl-5-[(1-methylcyclobutyl)amino]pyrimidine-2,4-dione
CID 115765441
6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione
CID 103704594
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945
6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione
CID 78911038

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione (CID 103659754) is 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(NCC2CC2(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione?
The InChIKey is HKVSFVPNAHIQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-16-9(13)8(10(17)15-11(16)18)14-6-7-5-12(7,2)3/h7,14H,4-6,13H2,1-3H3,(H,15,17,18).
What are the key properties of 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione?
6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 103659754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).