4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one

C10H15IN4O2 — CID 136979001

IUPAC4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC(N)C1CN(c2nc[nH]c(=O)c2I)CCO1
InChIInChI=1S/C10H15IN4O2/c1-6(12)7-4-15(2-3-17-7)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyDVRCCNMJNOLLTP-UHFFFAOYSA-N
MW350.16 g/mol
LogP-0.07
Rot. Bonds2

About 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one

4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136979001) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136979001
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC(N)C1CN(c2nc[nH]c(=O)c2I)CCO1
InChIInChI=1S/C10H15IN4O2/c1-6(12)7-4-15(2-3-17-7)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyDVRCCNMJNOLLTP-UHFFFAOYSA-N
XLogP-0.07
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(3-propan-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136958087
6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
CID 115315777
4-(3-amino-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136978258
3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 113285121
4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957758
1-(4-pyrimidin-2-ylmorpholin-2-yl)ethanamine
CID 115315809
1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine
CID 115315766
5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136957743
4-[3-(chloromethyl)pyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136971835
1-[4-(5,6-dimethylpyrazin-2-yl)morpholin-2-yl]ethanamine
CID 114476599
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137012742
1-[4-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethanamine
CID 106553336

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (CID 136979001) is 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is CC(N)C1CN(c2nc[nH]c(=O)c2I)CCO1.
What is the InChIKey of 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is DVRCCNMJNOLLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-6(12)7-4-15(2-3-17-7)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 350.16 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136979001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).