6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione

C12H18N6O2 — CID 61000399

IUPAC6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCc2cn[nH]c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N6O2/c1-2-3-4-18-10(13)9(11(19)17-12(18)20)14-5-8-6-15-16-7-8/h6-7,14H,2-5,13H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyIZPWBOLALTZNAL-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.25
Rot. Bonds6

About 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 61000399) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione
PubChem CID61000399
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCc2cn[nH]c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N6O2/c1-2-3-4-18-10(13)9(11(19)17-12(18)20)14-5-8-6-15-16-7-8/h6-7,14H,2-5,13H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyIZPWBOLALTZNAL-UHFFFAOYSA-N
XLogP0.25
TPSA121.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione (CID 61000399) is 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCc2cn[nH]c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is IZPWBOLALTZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-2-3-4-18-10(13)9(11(19)17-12(18)20)14-5-8-6-15-16-7-8/h6-7,14H,2-5,13H2,1H3,(H,15,16)(H,17,19,20).
What are the key properties of 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 278.32 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 61000399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).