N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine

C19H20F2IN6OP — CID 170374331

IUPACN-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC1CN(c2nc(N(I)Cc3cccnc3C(F)(F)P)c3cccnc3n2)CCO1
InChIInChI=1S/C19H20F2IN6OP/c1-12-10-27(8-9-29-12)18-25-16-14(5-3-7-24-16)17(26-18)28(22)11-13-4-2-6-23-15(13)19(20,21)30/h2-7,12H,8-11,30H2,1H3
InChIKeyLROWDXNJDUYZCR-UHFFFAOYSA-N
MW544.28 g/mol
LogP3.93
Rot. Bonds5

About N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine

N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 170374331) has the molecular formula C19H20F2IN6OP and a molecular weight of 544.28 g/mol. Its IUPAC name is N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID170374331
Molecular FormulaC19H20F2IN6OP
Molecular Weight544.28 g/mol
Exact Mass544.04
IUPAC NameN-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC1CN(c2nc(N(I)Cc3cccnc3C(F)(F)P)c3cccnc3n2)CCO1
InChIInChI=1S/C19H20F2IN6OP/c1-12-10-27(8-9-29-12)18-25-16-14(5-3-7-24-16)17(26-18)28(22)11-13-4-2-6-23-15(13)19(20,21)30/h2-7,12H,8-11,30H2,1H3
InChIKeyLROWDXNJDUYZCR-UHFFFAOYSA-N
XLogP3.93
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-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 N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 170374331) is N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine is CC1CN(c2nc(N(I)Cc3cccnc3C(F)(F)P)c3cccnc3n2)CCO1.
What is the InChIKey of N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LROWDXNJDUYZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2IN6OP/c1-12-10-27(8-9-29-12)18-25-16-14(5-3-7-24-16)17(26-18)28(22)11-13-4-2-6-23-15(13)19(20,21)30/h2-7,12H,8-11,30H2,1H3.
What are the key properties of N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine?
N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 544.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[difluoro(phosphanyl)methyl]-3-pyridinyl]methyl]-N-iodo-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 170374331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).