(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol

C12H15ClFN5O — CID 122598706

IUPAC(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(Cl)nc12
InChIInChI=1S/C12H15ClFN5O/c1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9/h4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19)/t6-/m0/s1
InChIKeyGWQOVEBRNJVRRB-LURJTMIESA-N
MW299.74 g/mol
LogP1.97
Rot. Bonds5

About (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol

(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 122598706) has the molecular formula C12H15ClFN5O and a molecular weight of 299.74 g/mol. Its IUPAC name is (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID122598706
Molecular FormulaC12H15ClFN5O
Molecular Weight299.74 g/mol
Exact Mass299.09
IUPAC Name(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(Cl)nc12
InChIInChI=1S/C12H15ClFN5O/c1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9/h4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19)/t6-/m0/s1
InChIKeyGWQOVEBRNJVRRB-LURJTMIESA-N
XLogP1.97
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
CID 167045236
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585216
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585181
methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
CID 71041916
(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol
CID 71041909
(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine
CID 159208958
2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122584957
(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 158174222
(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
CID 157344193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 122598706) is (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(Cl)nc12.
What is the InChIKey of (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is GWQOVEBRNJVRRB-LURJTMIESA-N. The full InChI is InChI=1S/C12H15ClFN5O/c1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9/h4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 299.74 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 122598706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).