8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione

C15H21N7O2 — CID 135443302

IUPAC8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc(N)nn3C)nc2n(CCC)c1=O
InChIInChI=1S/C15H21N7O2/c1-4-6-21-13-11(14(23)22(7-5-2)15(21)24)17-12(18-13)9-8-10(16)19-20(9)3/h8H,4-7H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyJGLOPAYMLYKSRS-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.69
Rot. Bonds5

About 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione

8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 135443302) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID135443302
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc(N)nn3C)nc2n(CCC)c1=O
InChIInChI=1S/C15H21N7O2/c1-4-6-21-13-11(14(23)22(7-5-2)15(21)24)17-12(18-13)9-8-10(16)19-20(9)3/h8H,4-7H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyJGLOPAYMLYKSRS-UHFFFAOYSA-N
XLogP0.69
TPSA116.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

8-(3,5-Dimethylpyrazol-1-yl)-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione
CID 6485842
8-(5-Amino-1-methyl-1H-pyrazol-3-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
CID 135493238
4-amino-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-methylpyrazol-3-yl]butanamide;hydrochloride
CID 136179487
8-(5-Amino-1-methyl-1H-pyrazol-3-yl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 136002187
8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
CID 625599
N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]-succinamic acid
CID 135529362
8-(3,5-Dimethyl-pyrazol-1-yl)-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione
CID 647430
8-(3,5-Dimethyl-pyrazol-1-yl)-7-isobutyl-3-methyl-3,7-dihydro-purine-2,6-dione
CID 648642
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 657468
8-(2,5-dimethylpyrazol-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
CID 135414399
8-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 135489505
1,3-dipropyl-8-(N-1-pyrazolyl)xanthine
CID 44412318

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione (CID 135443302) is 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3cc(N)nn3C)nc2n(CCC)c1=O.
What is the InChIKey of 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is JGLOPAYMLYKSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-4-6-21-13-11(14(23)22(7-5-2)15(21)24)17-12(18-13)9-8-10(16)19-20(9)3/h8H,4-7H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 331.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-1-methylpyrazol-5-yl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 135443302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).