3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol

C14H19F2N5O — CID 175081415

IUPAC3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol
SMILESCCCCC(Nc1nc(N)nc2cc(F)cnc12)C(O)CF
InChIInChI=1S/C14H19F2N5O/c1-2-3-4-9(11(22)6-15)19-13-12-10(20-14(17)21-13)5-8(16)7-18-12/h5,7,9,11,22H,2-4,6H2,1H3,(H3,17,19,20,21)
InChIKeyWLGPHUUHJONFMK-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.05
Rot. Bonds7

About 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol

3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol (PubChem CID 175081415) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol.

Molecular Properties

Compound Name3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol
PubChem CID175081415
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol
SMILESCCCCC(Nc1nc(N)nc2cc(F)cnc12)C(O)CF
InChIInChI=1S/C14H19F2N5O/c1-2-3-4-9(11(22)6-15)19-13-12-10(20-14(17)21-13)5-8(16)7-18-12/h5,7,9,11,22H,2-4,6H2,1H3,(H3,17,19,20,21)
InChIKeyWLGPHUUHJONFMK-UHFFFAOYSA-N
XLogP2.05
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol?
The IUPAC name of 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol (CID 175081415) is 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol.
What is the SMILES notation for 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol?
The canonical SMILES for 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol is CCCCC(Nc1nc(N)nc2cc(F)cnc12)C(O)CF.
What is the InChIKey of 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol?
The InChIKey is WLGPHUUHJONFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-2-3-4-9(11(22)6-15)19-13-12-10(20-14(17)21-13)5-8(16)7-18-12/h5,7,9,11,22H,2-4,6H2,1H3,(H3,17,19,20,21).
What are the key properties of 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol?
3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol has a molecular weight of 311.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol is sourced from PubChem (CID 175081415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).