6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione

C10H14N4O2 — CID 114383008

IUPAC6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione
SMILESC#CC(C)Nc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O2/c1-4-6(3)12-7-8(11)14(5-2)10(16)13-9(7)15/h1,6,12H,5,11H2,2-3H3,(H,13,15,16)
InChIKeyPTRDPSCILPCNIS-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.43
Rot. Bonds3

About 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione

6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione (PubChem CID 114383008) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione
PubChem CID114383008
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione
SMILESC#CC(C)Nc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O2/c1-4-6(3)12-7-8(11)14(5-2)10(16)13-9(7)15/h1,6,12H,5,11H2,2-3H3,(H,13,15,16)
InChIKeyPTRDPSCILPCNIS-UHFFFAOYSA-N
XLogP-0.43
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-butyl-5-(but-3-yn-2-ylamino)pyrimidine-2,4-dione
CID 114382909
6-amino-1-ethyl-5-[1-(4-methylphenyl)ethylamino]pyrimidine-2,4-dione
CID 60967574
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
CID 60649196
6-amino-1-ethyl-5-(hexan-3-ylamino)pyrimidine-2,4-dione
CID 55030966
6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione
CID 62840509
6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-1-(2-methylpropyl)-5-(pentan-3-ylamino)pyrimidine-2,4-dione
CID 60649265
6-amino-5-[(2,5-dimethylpyrrol-1-yl)amino]-1-ethylpyrimidine-2,4-dione
CID 79106040
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-1-ethyl-5-[(1-methylcyclobutyl)amino]pyrimidine-2,4-dione
CID 115765441

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione (CID 114383008) is 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione is C#CC(C)Nc1c(N)n(CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione?
The InChIKey is PTRDPSCILPCNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-4-6(3)12-7-8(11)14(5-2)10(16)13-9(7)15/h1,6,12H,5,11H2,2-3H3,(H,13,15,16).
What are the key properties of 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione?
6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione has a molecular weight of 222.25 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 114383008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).