6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine

C7H11IN3O2P — CID 178051634

IUPAC6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine
SMILESNc1cc(COCCOPI)ncn1
InChIInChI=1S/C7H11IN3O2P/c8-14-13-2-1-12-4-6-3-7(9)11-5-10-6/h3,5,14H,1-2,4H2,(H2,9,10,11)
InChIKeyADZJLCOUCNOHLZ-UHFFFAOYSA-N
MW327.06 g/mol
LogP1.54
Rot. Bonds6

About 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine

6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine (PubChem CID 178051634) has the molecular formula C7H11IN3O2P and a molecular weight of 327.06 g/mol. Its IUPAC name is 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine
PubChem CID178051634
Molecular FormulaC7H11IN3O2P
Molecular Weight327.06 g/mol
Exact Mass326.96
IUPAC Name6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine
SMILESNc1cc(COCCOPI)ncn1
InChIInChI=1S/C7H11IN3O2P/c8-14-13-2-1-12-4-6-3-7(9)11-5-10-6/h3,5,14H,1-2,4H2,(H2,9,10,11)
InChIKeyADZJLCOUCNOHLZ-UHFFFAOYSA-N
XLogP1.54
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.06
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(Methoxymethyl)-4-pyrimidinamine
CID 21137644
4-Hydrazinyl-6-(methoxymethyl)pyrimidine
CID 62320865
N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 97132478
6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 126848397
6-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 126848643
6-(methoxymethyl)-N,N-dimethylpyrimidin-4-amine
CID 14306176
4-(Methoxymethyl)pyrimidin-2-amine
CID 14639238
4-[6-(Methoxymethyl)-4-pyrimidinyl]morpholine
CID 22166948
4-Isothiocyanato-6-(methoxymethyl)pyrimidine
CID 57476558
6-(1-Ethoxyvinyl)pyrimidin-4-amine
CID 58167359
6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62321166
[6-(Methoxymethyl)pyrimidin-4-yl]carbamic acid
CID 67550093

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine (CID 178051634) is 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine is Nc1cc(COCCOPI)ncn1.
What is the InChIKey of 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine?
The InChIKey is ADZJLCOUCNOHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN3O2P/c8-14-13-2-1-12-4-6-3-7(9)11-5-10-6/h3,5,14H,1-2,4H2,(H2,9,10,11).
What are the key properties of 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine?
6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine has a molecular weight of 327.06 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodophosphanyloxyethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 178051634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).