2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine

C15H24IN3O — CID 116729687

IUPAC2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(OCC)C2CC2)nc(C(C)C)c1I
InChIInChI=1S/C15H24IN3O/c1-5-17-14-11(16)12(9(3)4)18-15(19-14)13(20-6-2)10-7-8-10/h9-10,13H,5-8H2,1-4H3,(H,17,18,19)
InChIKeySCZDJOBLEJZFOE-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.12
Rot. Bonds7

About 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 116729687) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID116729687
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(OCC)C2CC2)nc(C(C)C)c1I
InChIInChI=1S/C15H24IN3O/c1-5-17-14-11(16)12(9(3)4)18-15(19-14)13(20-6-2)10-7-8-10/h9-10,13H,5-8H2,1-4H3,(H,17,18,19)
InChIKeySCZDJOBLEJZFOE-UHFFFAOYSA-N
XLogP4.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116728703
6-tert-butyl-2-[cyclopropyl(methoxy)methyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 116729525
2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107925723
5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 116776509
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
2-[cyclopropyl(ethoxy)methyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741382
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
CID 116706453
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116728820
2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116729448

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 116729687) is 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(OCC)C2CC2)nc(C(C)C)c1I.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is SCZDJOBLEJZFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-5-17-14-11(16)12(9(3)4)18-15(19-14)13(20-6-2)10-7-8-10/h9-10,13H,5-8H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116729687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).