N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide

C15H22N6O — CID 122585199

IUPACN-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide
SMILESCCCCC(CNC(C)=O)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C15H22N6O/c1-3-4-6-11(9-18-10(2)22)19-14-13-12(7-5-8-17-13)20-15(16)21-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,18,22)(H3,16,19,20,21)
InChIKeyPEHSSHJVQCZAMK-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.71
Rot. Bonds7

About N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide

N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide (PubChem CID 122585199) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide
PubChem CID122585199
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide
SMILESCCCCC(CNC(C)=O)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C15H22N6O/c1-3-4-6-11(9-18-10(2)22)19-14-13-12(7-5-8-17-13)20-15(16)21-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,18,22)(H3,16,19,20,21)
InChIKeyPEHSSHJVQCZAMK-UHFFFAOYSA-N
XLogP1.71
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide?
The IUPAC name of N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide (CID 122585199) is N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide.
What is the SMILES notation for N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide?
The canonical SMILES for N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide is CCCCC(CNC(C)=O)Nc1nc(N)nc2cccnc12.
What is the InChIKey of N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide?
The InChIKey is PEHSSHJVQCZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-4-6-11(9-18-10(2)22)19-14-13-12(7-5-8-17-13)20-15(16)21-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,18,22)(H3,16,19,20,21).
What are the key properties of N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide?
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide is sourced from PubChem (CID 122585199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).