N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine

C13H18IN5 — CID 66300343

IUPACN-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccn(C)n2)nc(C(C)C)c1I
InChIInChI=1S/C13H18IN5/c1-5-15-13-10(14)11(8(2)3)16-12(17-13)9-6-7-19(4)18-9/h6-8H,5H2,1-4H3,(H,15,16,17)
InChIKeyWVHXFICWPLPHEB-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.04
Rot. Bonds4

About N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine

N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300343) has the molecular formula C13H18IN5 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300343
Molecular FormulaC13H18IN5
Molecular Weight371.23 g/mol
Exact Mass371.06
IUPAC NameN-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccn(C)n2)nc(C(C)C)c1I
InChIInChI=1S/C13H18IN5/c1-5-15-13-10(14)11(8(2)3)16-12(17-13)9-6-7-19(4)18-9/h6-8H,5H2,1-4H3,(H,15,16,17)
InChIKeyWVHXFICWPLPHEB-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107504360
N-ethyl-5-iodo-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66297954
N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66297952
6-tert-butyl-5-iodo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66300401
2-(3-cyclopropylimidazol-4-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66296221
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66298381
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562
5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66298716
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 102844027
2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300943
N-ethyl-5-iodo-2-[(4-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66300931
2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79089362

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine (CID 66300343) is N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccn(C)n2)nc(C(C)C)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is WVHXFICWPLPHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN5/c1-5-15-13-10(14)11(8(2)3)16-12(17-13)9-6-7-19(4)18-9/h6-8H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 371.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).