4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine

C12H13IN4O — CID 168922548

IUPAC4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nc(I)nc2cccnc12
InChIInChI=1S/C12H13IN4O/c1-8-7-18-6-5-17(8)11-10-9(3-2-4-14-10)15-12(13)16-11/h2-4,8H,5-7H2,1H3
InChIKeyIYBJDUUOJWHONW-UHFFFAOYSA-N
MW356.17 g/mol
LogP1.85
Rot. Bonds1

About 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine

4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine (PubChem CID 168922548) has the molecular formula C12H13IN4O and a molecular weight of 356.17 g/mol. Its IUPAC name is 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
PubChem CID168922548
Molecular FormulaC12H13IN4O
Molecular Weight356.17 g/mol
Exact Mass356.01
IUPAC Name4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nc(I)nc2cccnc12
InChIInChI=1S/C12H13IN4O/c1-8-7-18-6-5-17(8)11-10-9(3-2-4-14-10)15-12(13)16-11/h2-4,8H,5-7H2,1H3
InChIKeyIYBJDUUOJWHONW-UHFFFAOYSA-N
XLogP1.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[2-(2-phenylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922645
2-(3-methylmorpholin-4-yl)pyridine-3-carboxamide
CID 155353856
N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62281138
(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 175965732
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 72570064
(3R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 164581492
6-methyl-2-(3-methylmorpholin-4-yl)pyridin-3-amine
CID 81131826
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 166296585
5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80782226
N-methyl-1-[4-(3-methylmorpholin-4-yl)quinolin-2-yl]methanamine
CID 63374483

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine?
The IUPAC name of 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine (CID 168922548) is 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine?
The canonical SMILES for 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine is CC1COCCN1c1nc(I)nc2cccnc12.
What is the InChIKey of 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine?
The InChIKey is IYBJDUUOJWHONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O/c1-8-7-18-6-5-17(8)11-10-9(3-2-4-14-10)15-12(13)16-11/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine?
4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine has a molecular weight of 356.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 168922548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).