6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine

C9H10ClF4N3 — CID 106293438

IUPAC6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H10ClF4N3/c1-4-6(10)16-5(2)17-7(4)15-3-9(13,14)8(11)12/h8H,3H2,1-2H3,(H,15,16,17)
InChIKeyVYQQUTIPFDNEHW-UHFFFAOYSA-N
MW271.65 g/mol
LogP3.06
Rot. Bonds4

About 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine (PubChem CID 106293438) has the molecular formula C9H10ClF4N3 and a molecular weight of 271.65 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
PubChem CID106293438
Molecular FormulaC9H10ClF4N3
Molecular Weight271.65 g/mol
Exact Mass271.05
IUPAC Name6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H10ClF4N3/c1-4-6(10)16-5(2)17-7(4)15-3-9(13,14)8(11)12/h8H,3H2,1-2H3,(H,15,16,17)
InChIKeyVYQQUTIPFDNEHW-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294474
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66169135
6-chloro-2,5-dimethyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 63736491
3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293428
N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63735248
6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 130979497
6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 106197156
5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296158
4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
CID 64910682
4,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106293429
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine (CID 106293438) is 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The InChIKey is VYQQUTIPFDNEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF4N3/c1-4-6(10)16-5(2)17-7(4)15-3-9(13,14)8(11)12/h8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine has a molecular weight of 271.65 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 106293438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).