5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

C12H13N7O2 — CID 42610779

IUPAC5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC(CO)CO)ncn2)cn1
InChIInChI=1S/C12H13N7O2/c13-2-8-3-15-12(4-14-8)19-11-1-10(16-7-17-11)18-9(5-20)6-21/h1,3-4,7,9,20-21H,5-6H2,(H2,15,16,17,18,19)
InChIKeyMPRLIMDTQWEJHT-UHFFFAOYSA-N
MW287.28 g/mol
LogP-0.35
Rot. Bonds6

About 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 42610779) has the molecular formula C12H13N7O2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID42610779
Molecular FormulaC12H13N7O2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC(CO)CO)ncn2)cn1
InChIInChI=1S/C12H13N7O2/c13-2-8-3-15-12(4-14-8)19-11-1-10(16-7-17-11)18-9(5-20)6-21/h1,3-4,7,9,20-21H,5-6H2,(H2,15,16,17,18,19)
InChIKeyMPRLIMDTQWEJHT-UHFFFAOYSA-N
XLogP-0.35
TPSA139.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile with MolForge

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Related Compounds

5-((6-((3-Aminopropyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610564
5-((6-((2-Aminoethyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610563
5-((6-((3-Hydroxypropyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610777
2-[[6-(Pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
CID 117080902
2-[[2-Amino-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
CID 117087610
2-[[6-Methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
CID 117090048
2-[[2-(Pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethanol
CID 117092912
5-((6-((4-Aminobutyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 25221938
2-((2-Aminoethyl)(6-((5-cyanopyrazin-2-yl)amino)pyrimidin-4-yl)amino)acetamide
CID 42610485
5-((6-(2-(Aminomethyl)morpholino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610558
5-((6-(Piperazin-1-yl)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610561
5-[[6-[[(3S)-pyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
CID 42610637

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 42610779) is 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NC(CO)CO)ncn2)cn1.
What is the InChIKey of 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is MPRLIMDTQWEJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O2/c13-2-8-3-15-12(4-14-8)19-11-1-10(16-7-17-11)18-9(5-20)6-21/h1,3-4,7,9,20-21H,5-6H2,(H2,15,16,17,18,19).
What are the key properties of 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 287.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).