3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile

C15H19N7O — CID 3234661

IUPAC3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(CCC#N)c1=O
InChIInChI=1S/C15H19N7O/c1-11-14(23)22(5-3-4-16)13-12(18-11)10-17-15(19-13)21-8-6-20(2)7-9-21/h10H,3,5-9H2,1-2H3
InChIKeyZMZINZGJCMVBQA-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.16
Rot. Bonds3

About 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile

3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile (PubChem CID 3234661) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile.

Molecular Properties

Compound Name3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
PubChem CID3234661
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(CCC#N)c1=O
InChIInChI=1S/C15H19N7O/c1-11-14(23)22(5-3-4-16)13-12(18-11)10-17-15(19-13)21-8-6-20(2)7-9-21/h10H,3,5-9H2,1-2H3
InChIKeyZMZINZGJCMVBQA-UHFFFAOYSA-N
XLogP0.16
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.16
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
8-Cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3235223

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile?
The IUPAC name of 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile (CID 3234661) is 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile.
What is the SMILES notation for 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile?
The canonical SMILES for 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile is Cc1nc2cnc(N3CCN(C)CC3)nc2n(CCC#N)c1=O.
What is the InChIKey of 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile?
The InChIKey is ZMZINZGJCMVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-11-14(23)22(5-3-4-16)13-12(18-11)10-17-15(19-13)21-8-6-20(2)7-9-21/h10H,3,5-9H2,1-2H3.
What are the key properties of 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile?
3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile has a molecular weight of 313.37 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile is sourced from PubChem (CID 3234661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).