N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine

C12H19IN4O — CID 83104922

IUPACN-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1ncncc1I
InChIInChI=1S/C12H19IN4O/c1-9(2)15-5-10-7-18-4-3-17(10)12-11(13)6-14-8-16-12/h6,8-10,15H,3-5,7H2,1-2H3
InChIKeyKPNQICVYAZYVLI-UHFFFAOYSA-N
MW362.22 g/mol
LogP1.28
Rot. Bonds4

About N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine

N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83104922) has the molecular formula C12H19IN4O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
PubChem CID83104922
Molecular FormulaC12H19IN4O
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC NameN-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1ncncc1I
InChIInChI=1S/C12H19IN4O/c1-9(2)15-5-10-7-18-4-3-17(10)12-11(13)6-14-8-16-12/h6,8-10,15H,3-5,7H2,1-2H3
InChIKeyKPNQICVYAZYVLI-UHFFFAOYSA-N
XLogP1.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine (CID 83104922) is N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1c1ncncc1I.
What is the InChIKey of N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is KPNQICVYAZYVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4O/c1-9(2)15-5-10-7-18-4-3-17(10)12-11(13)6-14-8-16-12/h6,8-10,15H,3-5,7H2,1-2H3.
What are the key properties of N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine?
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 362.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83104922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).