6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine

C15H24IN3O — CID 116777235

IUPAC6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(CC)OC)nc(C2CC2)c1I
InChIInChI=1S/C15H24IN3O/c1-5-9-17-13-11(16)12(10-7-8-10)18-14(19-13)15(3,6-2)20-4/h10H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyBUYIGVWPNNHMBJ-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.05
Rot. Bonds7

About 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine

6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 116777235) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID116777235
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(CC)OC)nc(C2CC2)c1I
InChIInChI=1S/C15H24IN3O/c1-5-9-17-13-11(16)12(10-7-8-10)18-14(19-13)15(3,6-2)20-4/h10H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyBUYIGVWPNNHMBJ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine (CID 116777235) is 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)(CC)OC)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is BUYIGVWPNNHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-5-9-17-13-11(16)12(10-7-8-10)18-14(19-13)15(3,6-2)20-4/h10H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116777235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).