2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide

C13H15N9O — CID 42610485

IUPAC2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide
SMILESN#Cc1cnc(Nc2cc(N(CCN)CC(N)=O)ncn2)cn1
InChIInChI=1S/C13H15N9O/c14-1-2-22(7-10(16)23)13-3-11(19-8-20-13)21-12-6-17-9(4-15)5-18-12/h3,5-6,8H,1-2,7,14H2,(H2,16,23)(H,18,19,20,21)
InChIKeyQOTBUWNINBLTRQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP-0.87
Rot. Bonds7

About 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide

2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide (PubChem CID 42610485) has the molecular formula C13H15N9O and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide
PubChem CID42610485
Molecular FormulaC13H15N9O
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Name2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide
SMILESN#Cc1cnc(Nc2cc(N(CCN)CC(N)=O)ncn2)cn1
InChIInChI=1S/C13H15N9O/c14-1-2-22(7-10(16)23)13-3-11(19-8-20-13)21-12-6-17-9(4-15)5-18-12/h3,5-6,8H,1-2,7,14H2,(H2,16,23)(H,18,19,20,21)
InChIKeyQOTBUWNINBLTRQ-UHFFFAOYSA-N
XLogP-0.87
TPSA159.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide (CID 42610485) is 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide is N#Cc1cnc(Nc2cc(N(CCN)CC(N)=O)ncn2)cn1.
What is the InChIKey of 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide?
The InChIKey is QOTBUWNINBLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N9O/c14-1-2-22(7-10(16)23)13-3-11(19-8-20-13)21-12-6-17-9(4-15)5-18-12/h3,5-6,8H,1-2,7,14H2,(H2,16,23)(H,18,19,20,21).
What are the key properties of 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide?
2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide has a molecular weight of 313.33 g/mol, XLogP of -0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 42610485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).