3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile

C14H17N7O — CID 3233289

IUPAC3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
SMILESCN1CCN(c2ncc3ncc(=O)n(CCC#N)c3n2)CC1
InChIInChI=1S/C14H17N7O/c1-19-5-7-20(8-6-19)14-17-9-11-13(18-14)21(4-2-3-15)12(22)10-16-11/h9-10H,2,4-8H2,1H3
InChIKeyWUDDBZPPVKGFGP-UHFFFAOYSA-N
MW299.34 g/mol
LogP-0.15
Rot. Bonds3

About 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile

3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile (PubChem CID 3233289) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
PubChem CID3233289
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
SMILESCN1CCN(c2ncc3ncc(=O)n(CCC#N)c3n2)CC1
InChIInChI=1S/C14H17N7O/c1-19-5-7-20(8-6-19)14-17-9-11-13(18-14)21(4-2-3-15)12(22)10-16-11/h9-10H,2,4-8H2,1H3
InChIKeyWUDDBZPPVKGFGP-UHFFFAOYSA-N
XLogP-0.15
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-7,8-Dihydropteridin-6(5h)-One
CID 71739407
8-Methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232646
2-Methoxy-8-methylpteridin-7-one
CID 3232856
6,8-Dimethyl-2-piperazin-1-ylpteridin-7-one
CID 3233003
3-(2-Methoxy-6-methyl-7-oxopteridin-8-yl)propanenitrile
CID 3233319
8-Cyclopropyl-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3233384
8-Cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one
CID 3233431
2-(Ethylamino)-8-methylpteridin-7-one
CID 3233773
8-Cyclopropyl-2-methoxypteridin-7-one
CID 3233786
8-Cyclopropyl-2-methoxy-6-methylpteridin-7-one
CID 3234207
8-(2-Methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3234388
3-[6-Methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
CID 3234661

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile (CID 3233289) is 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile is CN1CCN(c2ncc3ncc(=O)n(CCC#N)c3n2)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile?
The InChIKey is WUDDBZPPVKGFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-19-5-7-20(8-6-19)14-17-9-11-13(18-14)21(4-2-3-15)12(22)10-16-11/h9-10H,2,4-8H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile?
3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile has a molecular weight of 299.34 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile is sourced from PubChem (CID 3233289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).