6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine

C13H20IN3O — CID 116503060

IUPAC6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)COC)nc(C2CC2)c1I
InChIInChI=1S/C13H20IN3O/c1-4-15-13-10(14)11(9-5-6-9)16-12(17-13)8(2)7-18-3/h8-9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyIQAVMKDJWJHGHY-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.14
Rot. Bonds6

About 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine

6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine (PubChem CID 116503060) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
PubChem CID116503060
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)COC)nc(C2CC2)c1I
InChIInChI=1S/C13H20IN3O/c1-4-15-13-10(14)11(9-5-6-9)16-12(17-13)8(2)7-18-3/h8-9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyIQAVMKDJWJHGHY-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.14
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-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine (CID 116503060) is 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine is CCNc1nc(C(C)COC)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The InChIKey is IQAVMKDJWJHGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-4-15-13-10(14)11(9-5-6-9)16-12(17-13)8(2)7-18-3/h8-9H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine has a molecular weight of 361.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 116503060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).