6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

C11H12F4IN3O — CID 103476333

IUPAC6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESNc1nc(COCC(F)(F)C(F)F)nc(C2CC2)c1I
InChIInChI=1S/C11H12F4IN3O/c12-10(13)11(14,15)4-20-3-6-18-8(5-1-2-5)7(16)9(17)19-6/h5,10H,1-4H2,(H2,17,18,19)
InChIKeyCFJHXZGMMOQNQQ-UHFFFAOYSA-N
MW405.13 g/mol
LogP2.96
Rot. Bonds6

About 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (PubChem CID 103476333) has the molecular formula C11H12F4IN3O and a molecular weight of 405.13 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
PubChem CID103476333
Molecular FormulaC11H12F4IN3O
Molecular Weight405.13 g/mol
Exact Mass405.00
IUPAC Name6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESNc1nc(COCC(F)(F)C(F)F)nc(C2CC2)c1I
InChIInChI=1S/C11H12F4IN3O/c12-10(13)11(14,15)4-20-3-6-18-8(5-1-2-5)7(16)9(17)19-6/h5,10H,1-4H2,(H2,17,18,19)
InChIKeyCFJHXZGMMOQNQQ-UHFFFAOYSA-N
XLogP2.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-6-(2-methylpropyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476348
5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476292
4-chloro-5-iodo-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473568
4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
CID 103477251
5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476257
4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473601
2-(butan-2-ylsulfanylmethyl)-6-cyclopropyl-5-iodopyrimidin-4-amine
CID 66301540
N-[[4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103476490
6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66302352
4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473589
2-methyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472963
[1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 103473159

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (CID 103476333) is 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is Nc1nc(COCC(F)(F)C(F)F)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The InChIKey is CFJHXZGMMOQNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4IN3O/c12-10(13)11(14,15)4-20-3-6-18-8(5-1-2-5)7(16)9(17)19-6/h5,10H,1-4H2,(H2,17,18,19).
What are the key properties of 6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine has a molecular weight of 405.13 g/mol, XLogP of 2.96, 6 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-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).