5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine

C11H12ClIN4O — CID 137409159

IUPAC5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine
SMILESCOC[C@H](C)Nc1ncc2c(Cl)ncc(I)c2n1
InChIInChI=1S/C11H12ClIN4O/c1-6(5-18-2)16-11-15-3-7-9(17-11)8(13)4-14-10(7)12/h3-4,6H,5H2,1-2H3,(H,15,16,17)/t6-/m0/s1
InChIKeyDECJXOPGDPYVBR-LURJTMIESA-N
MW378.60 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine

5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 137409159) has the molecular formula C11H12ClIN4O and a molecular weight of 378.60 g/mol. Its IUPAC name is 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine
PubChem CID137409159
Molecular FormulaC11H12ClIN4O
Molecular Weight378.60 g/mol
Exact Mass377.97
IUPAC Name5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine
SMILESCOC[C@H](C)Nc1ncc2c(Cl)ncc(I)c2n1
InChIInChI=1S/C11H12ClIN4O/c1-6(5-18-2)16-11-15-3-7-9(17-11)8(13)4-14-10(7)12/h3-4,6H,5H2,1-2H3,(H,15,16,17)/t6-/m0/s1
InChIKeyDECJXOPGDPYVBR-LURJTMIESA-N
XLogP2.73
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine (CID 137409159) is 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine is COC[C@H](C)Nc1ncc2c(Cl)ncc(I)c2n1.
What is the InChIKey of 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is DECJXOPGDPYVBR-LURJTMIESA-N. The full InChI is InChI=1S/C11H12ClIN4O/c1-6(5-18-2)16-11-15-3-7-9(17-11)8(13)4-14-10(7)12/h3-4,6H,5H2,1-2H3,(H,15,16,17)/t6-/m0/s1.
What are the key properties of 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine?
5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 378.60 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-iodo-N-[(2S)-1-methoxypropan-2-yl]pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 137409159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).