3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol

C14H21N5O — CID 122585253

IUPAC3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
SMILESCCCCC(Nc1nc(N)nc2cccnc12)C(C)O
InChIInChI=1S/C14H21N5O/c1-3-4-6-10(9(2)20)17-13-12-11(7-5-8-16-12)18-14(15)19-13/h5,7-10,20H,3-4,6H2,1-2H3,(H3,15,17,18,19)
InChIKeyFQKHGNDNZWEYGH-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.96
Rot. Bonds6

About 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol

3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol (PubChem CID 122585253) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol.

Molecular Properties

Compound Name3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
PubChem CID122585253
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
SMILESCCCCC(Nc1nc(N)nc2cccnc12)C(C)O
InChIInChI=1S/C14H21N5O/c1-3-4-6-10(9(2)20)17-13-12-11(7-5-8-16-12)18-14(15)19-13/h5,7-10,20H,3-4,6H2,1-2H3,(H3,15,17,18,19)
InChIKeyFQKHGNDNZWEYGH-UHFFFAOYSA-N
XLogP1.96
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol?
The IUPAC name of 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol (CID 122585253) is 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol.
What is the SMILES notation for 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol?
The canonical SMILES for 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol is CCCCC(Nc1nc(N)nc2cccnc12)C(C)O.
What is the InChIKey of 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol?
The InChIKey is FQKHGNDNZWEYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-4-6-10(9(2)20)17-13-12-11(7-5-8-16-12)18-14(15)19-13/h5,7-10,20H,3-4,6H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol?
3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol has a molecular weight of 275.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol is sourced from PubChem (CID 122585253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).