6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione

C13H20N6O2 — CID 104626403

IUPAC6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCc2ccn(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N6O2/c1-3-7-19-11(14)10(12(20)16-13(19)21)15-6-4-9-5-8-18(2)17-9/h5,8,15H,3-4,6-7,14H2,1-2H3,(H,16,20,21)
InChIKeyGXGUJHPHLWRNSN-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.08
Rot. Bonds6

About 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 104626403) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione
PubChem CID104626403
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCc2ccn(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N6O2/c1-3-7-19-11(14)10(12(20)16-13(19)21)15-6-4-9-5-8-18(2)17-9/h5,8,15H,3-4,6-7,14H2,1-2H3,(H,16,20,21)
InChIKeyGXGUJHPHLWRNSN-UHFFFAOYSA-N
XLogP-0.08
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 103844290
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
CID 115628510
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885221
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965303
5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106946
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione (CID 104626403) is 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCc2ccn(C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is GXGUJHPHLWRNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-3-7-19-11(14)10(12(20)16-13(19)21)15-6-4-9-5-8-18(2)17-9/h5,8,15H,3-4,6-7,14H2,1-2H3,(H,16,20,21).
What are the key properties of 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 104626403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).