3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol

C15H18IN3O2 — CID 66297783

IUPAC3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol
SMILESCCCNc1nc(-c2cccc(O)c2)nc(COC)c1I
InChIInChI=1S/C15H18IN3O2/c1-3-7-17-15-13(16)12(9-21-2)18-14(19-15)10-5-4-6-11(20)8-10/h4-6,8,20H,3,7,9H2,1-2H3,(H,17,18,19)
InChIKeyDUODHTDPKPBSTM-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.42
Rot. Bonds6

About 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol

3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol (PubChem CID 66297783) has the molecular formula C15H18IN3O2 and a molecular weight of 399.23 g/mol. Its IUPAC name is 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol
PubChem CID66297783
Molecular FormulaC15H18IN3O2
Molecular Weight399.23 g/mol
Exact Mass399.04
IUPAC Name3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol
SMILESCCCNc1nc(-c2cccc(O)c2)nc(COC)c1I
InChIInChI=1S/C15H18IN3O2/c1-3-7-17-15-13(16)12(9-21-2)18-14(19-15)10-5-4-6-11(20)8-10/h4-6,8,20H,3,7,9H2,1-2H3,(H,17,18,19)
InChIKeyDUODHTDPKPBSTM-UHFFFAOYSA-N
XLogP3.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.42
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

3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66301614
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993
2-(3-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 115381221
2-(4-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66301815
3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62202780
2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 105410452
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 62321190
6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 103348426
2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299688

Frequently Asked Questions

What is the IUPAC name of 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol (CID 66297783) is 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol is CCCNc1nc(-c2cccc(O)c2)nc(COC)c1I.
What is the InChIKey of 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol?
The InChIKey is DUODHTDPKPBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2/c1-3-7-17-15-13(16)12(9-21-2)18-14(19-15)10-5-4-6-11(20)8-10/h4-6,8,20H,3,7,9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol?
3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol has a molecular weight of 399.23 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 66297783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).