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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Related Compounds

6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
CID 60661545
6-amino-1-butyl-5-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-2,4-dione
CID 62947582
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885221
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethylacetamide
CID 60661495
6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 61401153
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820
6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
CID 104925628
6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103704539

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).