4,6-bis(fluoromethoxy)pyrimidin-2-amine

C6H7F2N3O2 — CID 53406504

IUPAC4,6-bis(fluoromethoxy)pyrimidin-2-amine
SMILESNc1nc(OCF)cc(OCF)n1
InChIInChI=1S/C6H7F2N3O2/c7-2-12-4-1-5(13-3-8)11-6(9)10-4/h1H,2-3H2,(H2,9,10,11)
InChIKeyYQEAATBXJRHUGG-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.67
Rot. Bonds4

About 4,6-bis(fluoromethoxy)pyrimidin-2-amine

4,6-bis(fluoromethoxy)pyrimidin-2-amine (PubChem CID 53406504) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 4,6-bis(fluoromethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(fluoromethoxy)pyrimidin-2-amine
PubChem CID53406504
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name4,6-bis(fluoromethoxy)pyrimidin-2-amine
SMILESNc1nc(OCF)cc(OCF)n1
InChIInChI=1S/C6H7F2N3O2/c7-2-12-4-1-5(13-3-8)11-6(9)10-4/h1H,2-3H2,(H2,9,10,11)
InChIKeyYQEAATBXJRHUGG-UHFFFAOYSA-N
XLogP0.67
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4,6-dimethoxypyrimidine
CID 118946
2-Pyrimidinamine, 4-chloro-6-methoxy-
CID 79811
2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
2,4,6-Trimethoxypyrimidine
CID 726938
2-Chloro-4,6-dimethoxypyrimidine
CID 5152323
N-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanamide
CID 718572
4,6-Dimethoxypyrimidine-2-carbonitrile
CID 21466113
2,4-Diamino-6-methoxypyrimidine
CID 816925
N-(4,6-dimethoxypyrimidin-2-yl)propanamide
CID 942474
2-Amino-6-fluoro-4-methoxypyrimidine
CID 759140

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(fluoromethoxy)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(fluoromethoxy)pyrimidin-2-amine (CID 53406504) is 4,6-bis(fluoromethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(fluoromethoxy)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(fluoromethoxy)pyrimidin-2-amine is Nc1nc(OCF)cc(OCF)n1.
What is the InChIKey of 4,6-bis(fluoromethoxy)pyrimidin-2-amine?
The InChIKey is YQEAATBXJRHUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c7-2-12-4-1-5(13-3-8)11-6(9)10-4/h1H,2-3H2,(H2,9,10,11).
What are the key properties of 4,6-bis(fluoromethoxy)pyrimidin-2-amine?
4,6-bis(fluoromethoxy)pyrimidin-2-amine has a molecular weight of 191.14 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(fluoromethoxy)pyrimidin-2-amine is sourced from PubChem (CID 53406504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).